SCHEMBL3922668

SCHEMBL3922668

CC(=O)c1cc(Cl)ccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
TP53 P04637 1/20 0.47
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
MAOB P27338 1/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CYP3A4 P08684 1/20 0.45
P2RX1 P51575 2/20 0.45
TMPRSS4 Q9NRS4 1/20 0.45
MYC P01106 1/20 0.44
NR4A1 P22736 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL1502321 0.84 ALDH1A1 (0.48) ALDH1A1TP53KDM4EHSD17B10CA1
SCHEMBL218964 0.83 CA1 (0.67) TP53MAOBKDM4EHSD17B10CA1
SCHEMBL4574528 0.83 FLT1 (0.51) CA12CA9MAOBNPC1RAB9A
SCHEMBL874097 0.83 ALDH1A1 (0.47) ALDH1A1TP53MAOBKDM4EHSD17B10
SCHEMBL402387 0.83 ALDH1A1 (0.63) ALDH1A1TP53KDM4EHSD17B10CA1
SCHEMBL30628195 0.83 FLT1 (0.51) CA12CA9MAOBNPC1RAB9A
SCHEMBL16956097 0.82 CYP3A4 (0.48) ALDH1A1TP53KDM4EHSD17B10CA1
SCHEMBL20117002 0.82 ALDH1A1 (0.50) ALDH1A1TP53CA12CA9MAOB
Hydrochloric Acid SCHEMBL11784623 0.81 CA1 (0.64) TP53MAOBKDM4EHSD17B10CA1
SCHEMBL1999332 0.81 ALDH1A1 (0.59) ALDH1A1TP53KDM4EHSD17B10CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760762-B2 Thienopyranones and furanopyranones as kinase, bromodomain, and checkpoint inhibitors SIGNALRX PHARMACEUTICALS, INC. (US) 2023-09-19 US disclosed
US-20210317102-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY ALTOS LABS, INC. 2021-10-14 US disclosed
US-9078899-B2 Pyrazolyl-based carboxamides II GRUENENTHAL GMBH (DE) 2015-07-14 US disclosed
US-9078899-B2 Pyrazolyl-based carboxamides II GRUENENTHAL GMBH (DE) 2015-07-14 US disclosed
WO-2014108336-A1 PYRAZOLYL-BASED CARBOXAMIDES II AS CRAC CHANNEL INHIBITORS Grünenthal GmbH (DE) 2014-07-17 WO disclosed
US-20140194452-A1 Pyrazolyl-Based Carboxamides II Grünenthal GmbH (DE) 2014-07-10 US disclosed
US-20140194452-A1 Pyrazolyl-Based Carboxamides II Grünenthal GmbH (DE) 2014-07-10 US disclosed
US-8575338-B2 Pyrimidine, pyridine and triazine derivatives as maxi-K channel openers MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-11-05 US disclosed
US-8575338-B2 Pyrimidine, pyridine and triazine derivatives as maxi-K channel openers MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-11-05 US disclosed
US-7906538-B2 Parasiticides; nematocides; crop protection SCHERING-PLOUGH ANIMAL HEALTH CORPORATION (US) 2011-03-15 US disclosed
US-7579369-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-25 US disclosed
US-20080194569-A1 Phthalazinones MERCK PATENT GMBH (DE) 2008-08-14 US disclosed
US-20080194569-A1 Phthalazinones MERCK PATENT GMBH (DE) 2008-08-14 US disclosed
US-7294644-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2007-11-13 US disclosed
US-20070238754-A1 Novel CB 1 receptor inverse agonists MAYWEG ALEXANDER 2007-10-11 US disclosed
EP-1583742-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP disclosed
US-20040167129-A1 Novel CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. 2004-08-26 US disclosed
WO-2004060870-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 WO disclosed
US-5968975-A TREATING ATHEROSCLEROSIS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-19 US disclosed
WO-1998057925-A1 ELEVATION OF HDL CHOLESTEROL BY 2-[(AMINOTHIOXOMETHYL)-HYDRAZONO]-2-ARYLETHYL CARBAMATES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-12-23 WO 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-20080194569-A1 Phthalazinones RB1, H1-3, H1-2 ALDH1A1 1304/4885TP53 6/4885CA12 1748/4885
US-11760762-B2 Thienopyranones and furanopyranones as kinase, bromodomain, and checkpoint inhibitors CDK1, CDKN1A, CDKL1 ALDH1A1 3077/4885TP53 138/4885CA12 4758/4885
US-20140194452-A1 Pyrazolyl-Based Carboxamides II AADAC, VDAC2, NLRP3 ALDH1A1 2400/4885TP53 2705/4885CA12 3317/4885
US-20210317102-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY ATF4, DDIT3, ATF1 ALDH1A1 4073/4885TP53 1882/4885CA12 4865/4885
US-20040167129-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, ARRB1 ALDH1A1 1464/4885TP53 4881/4885CA12 4064/4885
US-20070238754-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, GPR139 ALDH1A1 1498/4885TP53 4832/4885CA12 4112/4885

“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.