SCHEMBL2563683

SCHEMBL2563683

CCc1ccc(C)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.54
CA2 P00918 1/20 0.48
PKM P14618 1/20 0.46
TUBB1 Q9H4B7 2/20 0.44
ALDH1A1 P00352 4/20 0.44
HTT P42858 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ATM Q13315 2/20 0.42
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
LMNA P02545 3/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL12389920 0.84 CA2 (0.68) CA2TUBB1ALDH1A1HTTKDM4E
SCHEMBL28385292 0.84 PKM (0.47) PTGS2CA2PKMALDH1A1LMNA
SCHEMBL2559405 0.83 ATM (0.48) CA2ALDH1A1KDM4EATMPPARG
SCHEMBL4482868 0.83 HTT (0.54) PTGS2CA2TUBB1ALDH1A1HTT
SCHEMBL31428 0.82 CA2 (0.71) PTGS2CA2ALDH1A1HTTKDM4E
SCHEMBL31275634 0.82 CA2 (0.71) PTGS2CA2ALDH1A1HTTKDM4E
SCHEMBL25000916 0.81 CA2 (0.47) CA2TUBB1ALDH1A1HTTKDM4E
SCHEMBL12806222 0.81 CA2 (0.47) CA2TUBB1ALDH1A1HTTKDM4E
SCHEMBL14183053 0.81 PKM (0.45) PTGS2PKMALDH1A1HTTKDM4E
SCHEMBL5366841 0.81 TTR (0.54) CA2TUBB1ALDH1A1HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024039883-A2 COMPOSITIONS AND METHODS TO TREAT MYELOPROLIFERATIVE DISORDERS AND MYELOPROLIFERATIVE NEOPLASMS TRANSLATIONAL DRUG DEVELOPMENT LLC (US) 2024-02-22 WO disclosed
US-20240018102-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY Lhotse Bio, Inc (US) 2024-01-18 US disclosed
US-20230288824-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR, PROCESS CARTRIDGE, AND IMAGE FORMING APPARATUS FUJIFILM BUSINESS INNOVATION CORP. (JP) 2023-09-14 US disclosed
WO-2023090904-A1 SMOKING ARTICLE COMPRISING NOVEL FLAVORANT 주식회사 케이티앤지 2023-05-25 WO disclosed
WO-2023090898-A1 SMOKING PRODUCT CONTAINING NOVEL FLAVORING AGENT 주식회사 케이티앤지 2023-05-25 WO disclosed
US-20220112176-A1 SUBSTITUTED-N-HETEROARYL COMPOUNDS AND USES THEREOF BIONOMICS LIMITED (AU) 2022-04-14 US disclosed
WO-2019055590-A1 BISAMIDE SARCOMERE ACTIVATING COMPOUNDS AND USES THEREOF AMGEN INC. (US) 2019-03-21 WO disclosed
US-20190077793-A1 BISAMIDE SARCOMERE ACTIVATING COMPOUNDS AND USES THEREOF AMGEN INC. 2019-03-14 US disclosed
US-20170349566-A1 AN EFFICIENT PROCESS FOR THE SYNTHESIS OF ALKOXY SUBSTITUTED BENZALDEHYDES ANTHEA AROMATICS PRIVATE LIMITED (IN) 2017-12-07 US disclosed
US-20170334819-A1 A MILD CATALYTIC REDUCTION OF C-O BONDS AND C=O BONDS USING A RECYCLABLE CATALYST SYSTEM ORGANOFUEL SWEDEN AB (SE) 2017-11-23 US disclosed
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-02-19 US disclosed
US-20090012117-A1 Bicyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2009-01-08 US disclosed
US-20080119453-A1 Bicyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-05-22 US disclosed
US-20080113990-A1 Biphenyl derivatives as modulators of voltage gated ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-05-15 US disclosed
US-20080107608-A1 5-Substituted-2-Arylpyridines GE PING 2008-05-08 US disclosed
US-7348345-B2 Nonnucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2008-03-25 US disclosed
WO-2008021369-A2 TRICYCLIC COMPOUNDS AND ITS USE AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2008-02-21 WO disclosed
US-20080015196-A1 Imidazopyrazines, Imidazopyridines, and Imidazopyrimidines as Crf1 Receptor Ligands NEUROGEN CORPORATION (US) 2008-01-17 US disclosed
US-7297695-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-20 US disclosed
US-7223778-B2 5-substituted-2-arylpyridines NEUROGEN CORPORATION (US) 2007-05-29 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-20080119453-A1 Bicyclic derivatives as modulators of ion channels KCNJ2, TRPV1, KCNN3 PTGS2 961/4885CA2 192/4885PKM 2072/4885
US-20240018102-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH LPA RECEPTOR ACTIVITY LPAR1, LPAR2, LPAR5 PTGS2 1554/4885CA2 2116/4885PKM 2072/4885
US-20220112176-A1 SUBSTITUTED-N-HETEROARYL COMPOUNDS AND USES THEREOF GABRE, GRIN2C, GRIN2A PTGS2 2713/4885CA2 1230/4885PKM 1734/4885
US-20190077793-A1 BISAMIDE SARCOMERE ACTIVATING COMPOUNDS AND USES THEREOF TNNI3, TNNT2, TNNC1 PTGS2 1960/4885CA2 257/4885PKM 501/4885
US-20090012117-A1 Bicyclic derivatives as modulators of ion channels CACNA1C, CACNA1B, CACNA1D PTGS2 1337/4885CA2 289/4885PKM 2958/4885
US-20170349566-A1 AN EFFICIENT PROCESS FOR THE SYNTHESIS OF ALKOXY SUBSTITUTED BENZALDEHYDES HRH4, HAAO, HRH1 PTGS2 1299/4885CA2 2872/4885PKM 1521/4885
US-20170334819-A1 A MILD CATALYTIC REDUCTION OF C-O BONDS AND C=O BONDS USING A RECYCLABLE CATALYST SYSTEM CBR1, ADH1C, AOC2 PTGS2 2574/4885CA2 1258/4885PKM 2577/4885
US-20080015196-A1 Imidazopyrazines, Imidazopyridines, and Imidazopyrimidines as Crf1 Receptor Ligands CRHR1, CRHR2, CRHBP PTGS2 3533/4885CA2 4183/4885PKM 1111/4885
US-20080107608-A1 5-Substituted-2-Arylpyridines CRHR2, CRHR1, HTR2C PTGS2 2271/4885CA2 4600/4885PKM 925/4885
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 PTGS2 696/4885CA2 1773/4885PKM 1164/4885
US-20080113990-A1 Biphenyl derivatives as modulators of voltage gated ion channels TRPV1, TRPA1, TRPV2 PTGS2 428/4885CA2 636/4885PKM 3777/4885

“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.