SCHEMBL84460

SCHEMBL84460

COc1cc(C(C)C)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
HDAC4 P56524 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
ACVR2A P27037 2/20 0.39
TGFBR2 P37173 2/20 0.39
KCNB1 Q14721 1/20 0.38
ROCK2 O75116 1/20 0.38
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
PFKFB3 Q16875 1/20 0.38
TLR9 Q9NR96 2/20 0.37
TLR8 Q9NR97 2/20 0.37
TLR7 Q9NYK1 2/20 0.37
AAK1 Q2M2I8 2/20 0.37
LRRK2 Q5S007 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL31421700 1.00 LOX (0.48) LOXLOXL2HDAC4HDAC8ACVR2A
SCHEMBL12093566 0.86 LOX (0.47) LOXLOXL2ACVR2ATGFBR2KCNB1
SCHEMBL9366832 0.84 LOX (0.46) LOXLOXL2ACVR2ATGFBR2KCNB1
SCHEMBL21153171 0.84 LOX (0.46) LOXLOXL2ACVR2ATGFBR2KCNB1
SCHEMBL17000208 0.84 LOX (0.46) LOXLOXL2ACVR2ATGFBR2KCNB1
SCHEMBL23232590 0.84 LOX (0.50) LOXLOXL2ACVR2ATGFBR2KCNB1
SCHEMBL23343752 0.84 LOX (0.46) LOXLOXL2ACVR2ATGFBR2KCNB1
SCHEMBL23232245 0.84 LOX (0.50) LOXLOXL2ACVR2ATGFBR2KCNB1
SCHEMBL22369466 0.84 LOX (0.50) LOXLOXL2ACVR2ATGFBR2KCNB1
SCHEMBL18626319 0.84 LOX (0.46) LOXLOXL2ACVR2ATGFBR2KCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228491-A1 METHIONINE ADENOSYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD. (CN) 2024-07-11 US disclosed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
WO-2024073383-A1 COMPOUNDS FOR THE TREATMENT OF A CENTRAL NERVOUS SYSTEM DISEASE OR DISORDER PGI DRUG DISCOVERY LLC (US) 2024-04-04 WO disclosed
WO-2024044778-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF CELMATIX INC. (US) 2024-02-29 WO disclosed
WO-2024044757-A1 AMINOPYRIMIDINE AND AMINOTRIAZINE DERIVATIVES AS MYC PROTEIN MODULATORS Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-29 WO disclosed
US-11912686-B2 LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2024-02-27 US disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-20240018131-A1 MATRIX METALLOPROTEINASE (MMP) INHIBITORS AND METHODS OF USE THEREOF FORESEE PHARMACEUTICALS USA, INC. 2024-01-18 US disclosed
US-11827662-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2023-11-28 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
US-20090221597-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED 2009-09-03 US disclosed
US-20090221597-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED 2009-09-03 US disclosed
US-7582770-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-01 US disclosed
US-20090170859-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-02 US disclosed
US-20080293704-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2008-11-27 US disclosed
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-03-20 US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 US disclosed
WO-2007002172-A2 HIV-1 PROTEASE INHIBITORS UNIVERSITY OF MASSACHUSETTS (US) 2007-01-04 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 (13 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-20080293704-A1 FACTOR Xa INHIBITORS TFPI, F12, F11 LOX 613/4885LOXL2 1405/4885HDAC4 868/4885
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 LOX 687/4885LOXL2 1020/4885HDAC4 1486/4885
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF KCNN4, CACNA1A, KCNN3 LOX 570/4885LOXL2 593/4885HDAC4 1394/4885
US-20240018131-A1 MATRIX METALLOPROTEINASE (MMP) INHIBITORS AND METHODS OF USE THEREOF MMP12, MMP1, MMP11 LOX 175/4885LOXL2 218/4885HDAC4 230/4885
US-20070191604-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 LOX 3071/4885LOXL2 3282/4885HDAC4 499/4885
US-20090221597-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS CFTR, ABCB1, ABCD3 LOX 2721/4885LOXL2 3011/4885HDAC4 2800/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 LOX 2789/4885LOXL2 1735/4885HDAC4 2175/4885
US-20090170859-A1 Viral Polymerase Inhibitors POLR2A, POLR1E, RPP30 LOX 4767/4885LOXL2 4868/4885HDAC4 2369/4885
US-20240228491-A1 METHIONINE ADENOSYLTRANSFERASE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF MAT1A, AMD1, MAT2B LOX 2469/4885LOXL2 2201/4885HDAC4 4185/4885
US-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS LOX 1462/4885LOXL2 1727/4885HDAC4 1556/4885
US-20080070920-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLRMT, POLR2H LOX 3022/4885LOXL2 4467/4885HDAC4 564/4885
US-11827662-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS LOX 941/4885LOXL2 1752/4885HDAC4 1384/4885
US-11912686-B2 LPA receptor antagonists and uses thereof LPAR1, LPAR2, LPAR4 LOX 69/4885LOXL2 32/4885HDAC4 1637/4885

“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.