SCHEMBL95371

SCHEMBL95371

O=COCCOCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
NAAA Q02083 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LTA4H P09960 1/20 0.40
IDO1 P14902 1/20 0.40
TEAD3 Q99594 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AGXT P21549 1/20 0.39
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CCNB1 P14635 1/20 0.39
CCND1 P24385 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
LMNA P02545 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
SCHEMBL97850 0.89 TSHR (0.50) TSHRNAAASMN1; SMN2HTTALDH1A1
SCHEMBL97587 0.89 TSHR (0.50) TSHRNAAASMN1; SMN2HTTTEAD3
SCHEMBL97910 0.87 L3MBTL1 (0.50) TSHRNAAASMN1; SMN2HTTTEAD3
SCHEMBL2967379 0.87 L3MBTL1 (0.50) TSHRNAAASMN1; SMN2HTTTEAD3
SCHEMBL1991359 0.82 TSHR (0.78) TSHRNAAASMN1; SMN2HTTLTA4H
SCHEMBL16658468 0.82 TSHR (0.41) TSHRALDH1A1IDO1TDP1L3MBTL1
SCHEMBL4588882 0.82 CA1 (0.43) TSHRSMN1; SMN2ALDH1A1IDO1TDP1
SCHEMBL97579 0.82 TSHR (0.56) TSHRALDH1A1IDO1TDP1L3MBTL1
Benzene SCHEMBL25178056 0.81 TSHR (0.52) TSHRALDH1A1IDO1TDP1L3MBTL1
SCHEMBL901056 0.81 TSHR (0.52) TSHRALDH1A1IDO1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014074421-A1 PRODRUG BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-05-15 WO claimed
EP-1506175-B1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP claimed
US-7196110-B2 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders JANSSEN PHAMACEUTICA N.V. (BE) 2007-03-27 US claimed
EP-1506175-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP claimed
US-20040082639-A1 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2004-04-29 US claimed
WO-2003097609-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO claimed
EP-0640077-B1 OXAZOLIDINONES CONTAINING A SUBSTITUTED DIAZINE MOIETY AND THEIR USE AS ANTIMICROBIALS UPJOHN CO (US) 2002-06-26 EP claimed
US-5700799-A MICROBIOCIDES FOR TREATING HUMAN OR ANIMAL DISEASES PHARMACIA & UPJOHN COMPANY (US) 1997-12-23 US claimed
US-4370334-A VASODILATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-01-25 US claimed
US-4284634-A HYPOTENSIVE VASODILATORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-08-18 US claimed
CN-114466893-B Polyester film for window covering, and polyester film laminate for window covering 三菱化学株式会社 2024-03-01 CN disclosed
US-20230355705-A1 DISCOVERY OF YEATS2 YEATS DOMAIN INHIBITORS AS NOVEL ANTI-CANCER AGENTS THE UNIVERSITY OF HONG KONG (CN) 2023-11-09 US disclosed
US-20230159505-A1 AMINES FOR USE AS SIGMA RECEPTOR MODULATORS Ecstasy LLC 2023-05-25 US disclosed
US-20220204709-A1 POLYESTER FILM FOR WINDOW ATTACHMENT, AND POLYESTER FILM LAYERED BODY FOR WINDOW ATTACHMENT MITSUBISHI CHEMICAL CORPORATION (JP) 2022-06-30 US disclosed
CN-114466893-A Polyester film for window attachment and polyester film laminate for window attachment 三菱化学株式会社 2022-05-10 CN disclosed
US-4525478-A Certain 4-aryl-1,4-dihydro-3,5-pyridinedicarboxylates having vasodilating and anti-hypertensive properties FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-06-25 US disclosed
US-4370334-A VASODILATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-01-25 US disclosed
US-4338322-A 1,4-Dihydropyridine derivatives, pharmaceutical compositions containing same and methods of effecting vasodilation using same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-07-06 US disclosed
US-4284634-A HYPOTENSIVE VASODILATORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-08-18 US disclosed
US-4145432-A 6-ACYLORYALKYL-1,4-DIHYDROPYRIDINE DERIVATIVES AND A METHOD OF EFFECTING VASODILATION THEREWITH FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1979-03-20 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 (3 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-20230159505-A1 AMINES FOR USE AS SIGMA RECEPTOR MODULATORS SIGMAR1, OPRM1, OPRK1 TSHR 997/4885NAAA 2654/4885SMN1; SMN2 1857/4885
US-20040082639-A1 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders PDGFRA, PDGFRB, PDGFA TSHR 1502/4885NAAA 2219/4885SMN1; SMN2 4012/4885
US-20230355705-A1 DISCOVERY OF YEATS2 YEATS DOMAIN INHIBITORS AS NOVEL ANTI-CANCER AGENTS YEATS2, YEATS4, KNTC1 TSHR 3385/4885NAAA 1820/4885SMN1; SMN2 4292/4885

“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.