SCHEMBL9910163

SCHEMBL9910163

Cc1cc2cc(C(C)C)ccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.55
KEAP1 Q14145 1/20 0.55
PTGS2 P35354 1/20 0.54
AXL P30530 1/20 0.52
KIF11 P52732 1/20 0.42
MAPT P10636 5/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
EIF4A3 P38919 1/20 0.41
LMNA P02545 2/20 0.41
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
GAA P10253 1/20 0.40
TRPA1 O75762 1/20 0.39
PTGS1 P23219 1/20 0.39
CACNA1C Q13936 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL12803691 0.85 CYP2A6 (0.56) CYP2A6KEAP1PTGS2AXLMAPT
SCHEMBL12803415 0.85 CYP2A6 (0.56) CYP2A6KEAP1PTGS2AXLMAPT
SCHEMBL9276359 0.85 PTGS2 (0.55) CYP2A6KEAP1PTGS2AXLMAPT
SCHEMBL12804235 0.85 CYP2A6 (0.56) CYP2A6KEAP1PTGS2AXLMAPT
SCHEMBL3265231 0.84 EIF4A3 (0.57) CYP2A6KEAP1PTGS2AXLKIF11
SCHEMBL22543178 0.82 PTGS2 (0.49) CYP2A6KEAP1PTGS2AXLMAPT
SCHEMBL13561663 0.80 KIF11 (0.47) CYP2A6KEAP1PTGS2KIF11MAPT
SCHEMBL889309 0.80 KIF11 (0.42) PTGS2KIF11MAPTKDM4EALDH1A1
SCHEMBL10119861 0.79 KIF11 (0.39) CYP2A6KEAP1PTGS2KIF11MAPT
SCHEMBL12599317 0.76 LOXL2 (0.42) PTGS2KIF11MAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159573-A1 SMALL MOLECULE STAT PROTEIN DEGRADERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 US disclosed
US-20230159573-A1 SMALL MOLECULE STAT PROTEIN DEGRADERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 US disclosed
US-20230133504-A1 METHOD OF TREATING GRAFT-VERSUS-HOST DISEASE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-05-04 US disclosed
US-20230133504-A1 METHOD OF TREATING GRAFT-VERSUS-HOST DISEASE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-05-04 US disclosed
EP-3421465-B1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AS WELL AS PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2022-10-26 EP disclosed
US-20220185831-A1 STAT3 PROTEIN DEGRADERS UNIV MICHIGAN REGENTS (US) 2022-06-16 US disclosed
EP-4001279-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS Enanta Pharmaceuticals, Inc. (US) 2022-05-25 EP disclosed
WO-2021133886-A1 COMBINATIONS OF ESTROGEN RECEPTOR DEGRADERS AND CYCLIN-DEPENDENT KINASE INHIBITORS FOR TREATING CANCER Accutar Biotechnology (US) 2021-07-01 WO disclosed
US-10758539-B2 Therapeutic compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2020-09-01 US disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
US-20110217261-A1 COMBINATION PHARMACEUTICAL AGENTS AS INHIBITORS OF HCV REPLICATION ENANTA PHARMACEUTICALS, INC. 2011-09-08 US disclosed
US-20110082131-A1 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
US-7906653-B2 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER HEALTHCARE LLC (US) 2011-03-15 US disclosed
US-7884119-B2 protein tyrosine kinase receptor inhibitors such as 3-amino -1-(1H-indol-5-yl)carbonyl-5-[4-2-(pyrrolidin-1-yl)ethoxy]phenylamino]-1H-1,2,4-triazole, used for treating diseases and conditions associated with neovascularization and/or cell proliferation RIGEL PHARMACEUTICALS, INC. (US) 2011-02-08 US disclosed
US-20100204472-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation CANTIN LOUIS-DAVID 2010-08-12 US disclosed
US-7714004-B2 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER PHARMACEUTICALS CORPORATION (US) 2010-05-11 US disclosed
US-7714004-B2 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation BAYER PHARMACEUTICALS CORPORATION (US) 2010-05-11 US disclosed
US-20090143381-A1 MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2009-06-04 US disclosed
US-20090082395-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-03-26 US disclosed
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2007-09-13 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 (11 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-10758539-B2 Therapeutic compounds and uses thereof MUC1, CFTR, SLC26A4 CYP2A6 849/4885KEAP1 483/4885PTGS2 804/4885
US-20110082131-A1 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS AXL, TYRO3, FLT3 CYP2A6 3692/4885KEAP1 4239/4885PTGS2 4170/4885
US-20110217261-A1 COMBINATION PHARMACEUTICAL AGENTS AS INHIBITORS OF HCV REPLICATION HAVCR2, EIF2AK2, MAVS CYP2A6 2216/4885KEAP1 97/4885PTGS2 2286/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 CYP2A6 1793/4885KEAP1 340/4885PTGS2 1409/4885
US-20220185831-A1 STAT3 PROTEIN DEGRADERS STAT3, JAK2, STAT5A CYP2A6 1012/4885KEAP1 1448/4885PTGS2 3946/4885
US-20090082395-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, LTA4H CYP2A6 553/4885KEAP1 434/4885PTGS2 17/4885
US-20100204472-A1 Indane acetic acid derivatives and their use as pharmaceutical agents, intermediates, and method of preparation INSR, ACACA, IAPP CYP2A6 476/4885KEAP1 2478/4885PTGS2 899/4885
US-20090143381-A1 MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS CFTR, ABCB1, ABCC2 CYP2A6 1069/4885KEAP1 195/4885PTGS2 2177/4885
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors AXL, TYRO3, FLT3 CYP2A6 3588/4885KEAP1 4177/4885PTGS2 3882/4885
US-20230133504-A1 METHOD OF TREATING GRAFT-VERSUS-HOST DISEASE HLA-DRB1, CD74, HLA-C CYP2A6 1842/4885KEAP1 1232/4885PTGS2 530/4885
US-20230159573-A1 SMALL MOLECULE STAT PROTEIN DEGRADERS STAT1, STAT3, STAT5A CYP2A6 1193/4885KEAP1 2377/4885PTGS2 3302/4885

“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.