SCHEMBL11050996

SCHEMBL11050996

CCCCOc1cccc(CC)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.60
ALDH1A1 P00352 3/20 0.60
SMN1; SMN2 Q16637 1/20 0.59
MAPK1 P28482 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
TSHR P16473 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
DHFR P00374 1/20 0.54
POLB P06746 1/20 0.54
LTA4H P09960 1/20 0.53
GGPS1 O95749 2/20 0.52
GAA P10253 1/20 0.52
PLA2G4B P0C869 1/20 0.52
CYP2D6 P10635 3/20 0.51

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
SCHEMBL5251060 0.94 KDM4E (0.63) KDM4EALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL8349049 0.93 TSHR (0.65) KDM4EALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL9974699 0.93 TSHR (0.65) KDM4EALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL59488 0.90 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL15295402 0.90 ALDH1A1 (0.65) KDM4EALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL720798 0.89 CYP2D6 (0.58) TSHRDHFRLTA4HGGPS1PLA2G4B
SCHEMBL14382693 0.87 CYP2D6 (0.57) TSHRDHFRLTA4HGGPS1PLA2G4B
SCHEMBL4397448 0.86 TSHR (0.63) SMN1; SMN2MAPK1TSHRLTA4HPLA2G4B
SCHEMBL6468919 0.85 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL10272584 0.85 KDM4E (0.70) KDM4EALDH1A1SMN1; SMN2MAPK1L3MBTL1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023102378-A1 MACROCYCLIC COMPOUNDS HAVING FARNESYLTRANSFERASE INHIBITORY ACTIVITY KURA ONCOLOGY, INC. (US) 2023-06-08 WO disclosed
US-20170348258-A1 3-Amino Benzamide Derivative Serving As B-Lactam Auxiliary Antibiotic, Preparation Method and Use Thereof THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2017-12-07 US disclosed
US-20160263083-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-09-15 US disclosed
US-20130045952-A1 ABA Receptor Agonists for Increased Plant Stress Resistance VAN ANDEL RESEARCH INSTITUTE (US) 2013-02-21 US disclosed
US-20130018040-A1 Compositions And Methods For Treating Toxoplasmosis, Cryptosporidiosis, And Other Apicomplexan Protozoan Related Diseases UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2013-01-17 US disclosed
US-7999139-B2 Solid-phase preparation of [18F]fluorohaloalkanes HAMMERSMITH IMANET LIMITED (GB) 2011-08-16 US disclosed
US-7674828-B2 Urea antagonists of P2Y1receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-09 US disclosed
US-7504208-B2 Solid-phase fluorination of uracil and cytosine HAMMERSMITH IMANET LIMITED (GB) 2009-03-17 US disclosed
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB COMPANY (US) 2008-11-13 US disclosed
US-20070202039-A1 Solid-Phase Preparation of [18F]Fluorohaloalkanes HAMMERSMITH IMANET LIMITED (GB) 2007-08-30 US disclosed
US-7223891-B2 Solid-phase preparation of [18F] fluorohaloalkanes HAMMERSMITH IMANET LTD. (GB) 2007-05-29 US disclosed
WO-2007042660-A2 SUBSTITUTED 1-AMINO-PHTHALZINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-04-19 WO disclosed
US-7196080-B2 Respiratory system disordeers; chronic obstructive pulminary disease ASTELLAS PHARMA INC. (JP) 2007-03-27 US disclosed
US-4459186-A Electrochemical oxidation of alkyl aromatic compounds UOP INC. (US) 1984-07-10 US disclosed
US-4212711-A Electrochemical oxidation of alkyl aromatic compounds UOP INC. (US) 1980-07-15 US disclosed
US-4212710-A Electrochemical oxidation of alkyl aromatic compounds UOP INC. (US) 1980-07-15 US disclosed
US-4148696-A Electrochemical oxidation of activated alkyl aromatic compounds UOP INC. (US) 1979-04-10 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 (6 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-20130018040-A1 Compositions And Methods For Treating Toxoplasmosis, Cryptosporidiosis, And Other Apicomplexan Protozoan Related Diseases PNCK, TXK, CILK1 KDM4E 2635/4885ALDH1A1 4776/4885SMN1; SMN2 4701/4885
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY2 KDM4E 3641/4885ALDH1A1 1978/4885SMN1; SMN2 3807/4885
US-20170348258-A1 3-Amino Benzamide Derivative Serving As B-Lactam Auxiliary Antibiotic, Preparation Method and Use Thereof BCAT2, SBDS, BCAT1 KDM4E 1472/4885ALDH1A1 2169/4885SMN1; SMN2 2209/4885
US-20160263083-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES POLRMT, POLR1C, FBL KDM4E 2085/4885ALDH1A1 1785/4885SMN1; SMN2 3912/4885
US-20130045952-A1 ABA Receptor Agonists for Increased Plant Stress Resistance BROX, AAK1, ADORA3 KDM4E 3079/4885ALDH1A1 3422/4885SMN1; SMN2 4877/4885
US-20070202039-A1 Solid-Phase Preparation of [18F]Fluorohaloalkanes SLCO2B1, SLCO2A1, FES KDM4E 2270/4885ALDH1A1 2599/4885SMN1; SMN2 1558/4885

“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.