SCHEMBL3525432

SCHEMBL3525432

CCc1ccc2[nH]c(CC)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
LOXL2 Q9Y4K0 3/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2A6 P11509 1/20 0.45
KIF11 P52732 1/20 0.42
DAO P14920 1/20 0.41
VCP P55072 2/20 0.41
FFAR1 O14842 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 3/20 0.39
ALDH1A1 P00352 1/20 0.38
TRPA1 O75762 1/20 0.38

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
SCHEMBL864772 0.90 KDM4E (0.46) KDM4ELOXL2CYP1A2CYP2A6KIF11
SCHEMBL11710173 0.87 KDM4E (0.47) KDM4ELOXL2CYP1A2CYP2A6KIF11
SCHEMBL28189651 0.87 KDM4E (0.43) KDM4ELOXL2CYP1A2CYP2A6KIF11
SCHEMBL8999779 0.80 MAPT (0.57) KDM4ECYP2A6MEN1KMT2ANPC1
SCHEMBL8296766 0.80 LOXL2 (0.70) KDM4ELOXL2DAOMEN1KMT2A
SCHEMBL12829821 0.78 AOC3 (0.48) KDM4ECYP1A2CYP2A6KIF11DAO
SCHEMBL27542164 0.78 KDM4E (0.49) KDM4ECYP1A2CYP2A6KIF11DAO
SCHEMBL2056276 0.78 LOXL2 (0.68) KDM4ELOXL2DAOMEN1KMT2A
SCHEMBL187518 0.78 KDM4E (0.47) KDM4ELOXL2DAOMAPTALDH1A1
SCHEMBL16440998 0.78 CYP19A1 (0.47) LOXL2CYP1A2CYP2A6VCPFFAR1

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-9701771-B2 Substituted zirconocenes catalysts and methods of use in polymerization reactions BASELL POLYOLEFINE GMBH (DE) 2017-07-11 US disclosed
US-9622991-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2017-04-18 US disclosed
US-9593074-B2 C17-alkanediyl and alkenediyl derivatives of oleanolic acid and methods of use thereof REATA PHARMACEUTICALS, INC. (US) 2017-03-14 US disclosed
US-20160237051-A1 EPOXIDATION CATALYSTS BASED ON METAL ALKOXIDE PRETREATED SUPPORTS LYONDELL CHEMICAL TECHNOLOGY, L.P. (US) 2016-08-18 US disclosed
US-20160002279-A1 COMPOUNDS FROM INVASIVE SALVINIAS AND METHODS OF USING THE SAME STEPHEN F. AUSTIN STATE UNIVERSITY 2016-01-07 US disclosed
US-20150284490-A1 SUBSTITUTED ZIRCONOCENES CATALYSTS AND METHODS OF USE IN POLYMERIZATION REACTIONS BASELL POLYOLEFIN GMBH (DE) 2015-10-08 US disclosed
US-9144557-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2015-09-29 US disclosed
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-09-10 US disclosed
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING VANDERBILT UNIVERSITY (US) 2014-08-28 US disclosed
US-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
US-20120276039-A1 APTAMER-MODIFIED POLYMERIC MATERIALS FOR THE BINDING OF FACTORS IN A WOUND ENVIRONMENT KCI LICENSING, INC. (US) 2012-11-01 US disclosed
US-8293927-B2 Efficient synthesis of morphine and codeine BOARD OF REGENTS THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-10-23 US disclosed
US-20120252776-A1 C4 Monomethyl Triterpenoid Derivatives and Methods of Use Thereof REATA PHARMACEUTICALS, INC. 2012-10-04 US disclosed
US-20120101149-A1 Betulinic Acid Derivatives and Methods of Use Thereof REATA PHARMACEUTICALS, INC. 2012-04-26 US disclosed
US-20120022012-A1 Glycosylated Acetaminophen Pro-Drug Analogs NuTek Pharma Ltd. 2012-01-26 US disclosed
US-20110251246-A1 SMALL MOLECULE INHIBITORS OF MUC1 AND METHODS OF IDENTIFYING THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-10-13 US disclosed
US-20110196007-A1 MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-08-11 US disclosed
US-7943778-B2 Antioxidant inflammation modulators: C-17 homologated oleanolic acid derivatives REATA PHARMACEUTICALS, INC. (US) 2011-05-17 US disclosed
US-20100292475-A1 Efficient Synthesis Of Morphine And Codeine BOARD OF REGENTS THE UNIVERSITY OF TEXAS SYSTEM 2010-11-18 US disclosed
US-20100041904-A1 ANTIOXIDANT INFLAMMATION MODULATORS: C-17 HOMOLOGATED OLEANOLIC ACID DERIVATIVES REATA PHARMACEUTICALS, INC. 2010-02-18 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 (14 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-20110196007-A1 MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF HSD17B7, HSD17B12, CYP11B2 KDM4E 2521/4885LOXL2 1205/4885CYP1A2 219/4885
US-20110251246-A1 SMALL MOLECULE INHIBITORS OF MUC1 AND METHODS OF IDENTIFYING THE SAME MUC1, EPCAM, CD44 KDM4E 4817/4885LOXL2 1847/4885CYP1A2 4852/4885
US-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS HGF, EPOR, MPL KDM4E 3484/4885LOXL2 3550/4885CYP1A2 4797/4885
US-20160237051-A1 EPOXIDATION CATALYSTS BASED ON METAL ALKOXIDE PRETREATED SUPPORTS CYBB, AOX1, VKORC1 KDM4E 115/4885LOXL2 95/4885CYP1A2 86/4885
US-20150284490-A1 SUBSTITUTED ZIRCONOCENES CATALYSTS AND METHODS OF USE IN POLYMERIZATION REACTIONS MAOA, MPO, PARP1 KDM4E 1471/4885LOXL2 217/4885CYP1A2 240/4885
US-20100292475-A1 Efficient Synthesis Of Morphine And Codeine OPRK1, OPRM1, OPRL1 KDM4E 534/4885LOXL2 3848/4885CYP1A2 101/4885
US-20100041904-A1 ANTIOXIDANT INFLAMMATION MODULATORS: C-17 HOMOLOGATED OLEANOLIC ACID DERIVATIVES IL17A, ALOX15, ALOX12 KDM4E 3290/4885LOXL2 411/4885CYP1A2 453/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF KDM4E 1944/4885LOXL2 2355/4885CYP1A2 4846/4885
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING OR51E2, TRPA1, OR10J3 KDM4E 3619/4885LOXL2 3759/4885CYP1A2 3623/4885
US-20120252776-A1 C4 Monomethyl Triterpenoid Derivatives and Methods of Use Thereof CYP4A11, LTC4S, NOX4 KDM4E 1522/4885LOXL2 506/4885CYP1A2 205/4885
US-20120101149-A1 Betulinic Acid Derivatives and Methods of Use Thereof BET1, PGGT1B, CYP3A5 KDM4E 1796/4885LOXL2 1532/4885CYP1A2 79/4885
US-20120276039-A1 APTAMER-MODIFIED POLYMERIC MATERIALS FOR THE BINDING OF FACTORS IN A WOUND ENVIRONMENT SDF4, CXCL12, PCLAF KDM4E 4108/4885LOXL2 2876/4885CYP1A2 4863/4885
US-20120022012-A1 Glycosylated Acetaminophen Pro-Drug Analogs UGT1A3, GCG, UGT1A1 KDM4E 4019/4885LOXL2 2594/4885CYP1A2 34/4885
US-20160002279-A1 COMPOUNDS FROM INVASIVE SALVINIAS AND METHODS OF USING THE SAME MMP8, GUSB, MMP9 KDM4E 2849/4885LOXL2 1045/4885CYP1A2 1418/4885

“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.