SCHEMBL78171

SCHEMBL78171

CC(C)(C)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.62
NR4A2 P43354 2/20 0.58
NR4A1 P22736 1/20 0.58
NR4A3 Q92570 1/20 0.58
SOD1 P00441 1/20 0.56
BCHE P06276 3/20 0.54
CYP4F2 P78329 1/20 0.54
CYP4A11 Q02928 1/20 0.54
MAOA P21397 1/20 0.53
PKM P14618 1/20 0.52
ALOX5 P09917 1/20 0.51
CACNA1B Q00975 1/20 0.51
LCK P06239 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Formaldehyde SCHEMBL27492762 0.95 NR4A2 (0.58) MAOBNR4A2NR4A1NR4A3SOD1
SCHEMBL13439843 0.91 NR4A2 (0.57) MAOBNR4A2NR4A1NR4A3SOD1
SCHEMBL10474017 0.88 MAOB (0.60) MAOBNR4A2NR4A1NR4A3BCHE
SCHEMBL15650460 0.87 MAOB (0.58) MAOBNR4A2NR4A1NR4A3BCHE
SCHEMBL9434943 0.87 MAOB (0.58) MAOBNR4A2NR4A1NR4A3BCHE
SCHEMBL13761594 0.87 NR4A2 (0.56) MAOBNR4A2NR4A1NR4A3SOD1
SCHEMBL10472144 0.87 MAOB (0.58) MAOBNR4A2NR4A1NR4A3BCHE
SCHEMBL20098899 0.86 MAOB (0.56) MAOBNR4A2NR4A1NR4A3BCHE
SCHEMBL13439834 0.85 NPC1 (0.58) MAOBNR4A2NR4A1NR4A3SOD1
SCHEMBL11125159 0.85 MAOB (0.57) MAOBNR4A2NR4A1NR4A3SOD1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834450-B2 Compounds having ((3-nitrophenyl)sulfonyl)acetamide as BCL-2 inhibitors Eil Therapeutics, Inc. (US) 2023-12-05 US disclosed
US-20220380402-A1 6-HYDRAZINOADENOSINE COMPOUNDS WITH A2A ADENOSINE RECEPTOR AGONIST ACTIVITY ACADEMY OF MILITARY MEDICAL SCIENCES (CN) 2022-12-01 US disclosed
US-20190345115-A1 NOVEL QUINAZOLINONES THAT INHIBIT THE FORMATION OF TAU OLIGOMERS AND THEIR METHOD OF USE OLIGOMERIX, INC. 2019-11-14 US disclosed
US-10280149-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-05-07 US disclosed
US-10174015-B2 Substituted heterocyclic derivative, preparation method and use thereof XIAMEN UNIVERSITY (CN) 2019-01-08 US disclosed
US-20180022727-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-01-25 US disclosed
US-20180022727-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-01-25 US disclosed
US-20180022709-A1 Compositions and Methods for Treating Toxoplasmosis, Cryptosporidiosis, and Other Apicomplexan Protozoan Related Diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-01-25 US disclosed
US-20170334896-A1 Substituted Heterocyclic Derivative, Preparation Method And Use Thereof XIAMEN UNIVERSITY (CN) 2017-11-23 US disclosed
US-20170334896-A1 Substituted Heterocyclic Derivative, Preparation Method And Use Thereof XIAMEN UNIVERSITY (CN) 2017-11-23 US disclosed
US-20070293516-A1 Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-12-20 US disclosed
US-20070265252-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 US disclosed
US-20070265252-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 US disclosed
US-20070265281-A1 Organic Compounds and Their Uses COTTENS SYLVAIN 2007-11-15 US disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 US disclosed
US-20070173519-A1 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-07-26 US disclosed
US-20070066600-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2007-03-22 US disclosed
US-20070066598-A1 Compounds BIOVITRUM AB, A SWEDEN CORPORATION 2007-03-22 US disclosed
US-20070066599-A1 New compounds BIOVITRUM AB, A SWEDEN CORPORATION 2007-03-22 US disclosed
US-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-04-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (16 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070293516-A1 Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine MTOR, PI4KA, PIK3CA MAOB 2808/4885NR4A2 3445/4885NR4A1 3899/4885
US-20070066599-A1 New compounds SULT2A1, GPR119, STS MAOB 1634/4885NR4A2 1528/4885NR4A1 2088/4885
US-11834450-B2 Compounds having ((3-nitrophenyl)sulfonyl)acetamide as BCL-2 inhibitors BCL2, BCL2A1, BCL2L1 MAOB 2122/4885NR4A2 1424/4885NR4A1 3040/4885
US-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ADORA2A, ADORA1, PDE2A MAOB 202/4885NR4A2 1081/4885NR4A1 1732/4885
US-20070066598-A1 Compounds SULT2A1, STS, SLC5A2 MAOB 1020/4885NR4A2 1841/4885NR4A1 2432/4885
US-20070173519-A1 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof MAPKAPK2, MAPKAPK5, MAPKAPK3 MAOB 4400/4885NR4A2 2405/4885NR4A1 4244/4885
US-20180022709-A1 Compositions and Methods for Treating Toxoplasmosis, Cryptosporidiosis, and Other Apicomplexan Protozoan Related Diseases PNCK, TXK, CILK1 MAOB 4796/4885NR4A2 2770/4885NR4A1 3063/4885
US-20170334896-A1 Substituted Heterocyclic Derivative, Preparation Method And Use Thereof FAAH, NAAA, FAAH2 MAOB 23/4885NR4A2 3655/4885NR4A1 2870/4885
US-20070265252-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS CETP, MTTP, CES1 MAOB 1886/4885NR4A2 542/4885NR4A1 753/4885
US-10280149-B2 Therapeutic compounds and uses thereof KDM1B, KDM6B, KDM2B MAOB 597/4885NR4A2 1210/4885NR4A1 2467/4885
US-20070066600-A1 Compounds SULT2A1, STS, SLC5A2 MAOB 1020/4885NR4A2 1841/4885NR4A1 2432/4885
US-20190345115-A1 NOVEL QUINAZOLINONES THAT INHIBIT THE FORMATION OF TAU OLIGOMERS AND THEIR METHOD OF USE MAPT, PSEN1, APP MAOB 269/4885NR4A2 4023/4885NR4A1 4317/4885
US-20070265281-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 MAOB 90/4885NR4A2 1408/4885NR4A1 2185/4885
US-20180022727-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KDM1B, KDM6B, KDM2B MAOB 597/4885NR4A2 1210/4885NR4A1 2467/4885
US-10174015-B2 Substituted heterocyclic derivative, preparation method and use thereof DHPS, CYP3A5, CYP3A4 MAOB 30/4885NR4A2 2308/4885NR4A1 1358/4885
US-20220380402-A1 6-HYDRAZINOADENOSINE COMPOUNDS WITH A2A ADENOSINE RECEPTOR AGONIST ACTIVITY ADORA2A, ADORA1, ADORA3 MAOB 315/4885NR4A2 498/4885NR4A1 396/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.