SCHEMBL3639787

SCHEMBL3639787

O=C(O)C1OCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NISCH Q9Y2I1 1/20 0.39
EDNRA P25101 1/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
MAPK1 P28482 1/20 0.37
F2 P00734 1/20 0.36
NPC1 O15118 1/20 0.36
ACE P12821 1/20 0.36
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 1/20 0.35
ACP3 P15309 1/20 0.35

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
SCHEMBL28327093 0.86 RAB9A (0.40) TSHRNPSR1RAB9ANISCHHDAC4
SCHEMBL10518091 0.85 RAB9A (0.38) TSHRNPSR1RAB9ASMN1; SMN2NISCH
SCHEMBL6618609 0.83 ATM (0.42) TSHRRAB9ANISCHGAAHDAC4
SCHEMBL2720399 0.81 RAB9A (0.57) TSHRNPSR1RAB9ASMN1; SMN2GAA
SCHEMBL31445349 0.81 RAB9A (0.57) TSHRNPSR1RAB9ASMN1; SMN2GAA
Hydrochloric Acid SCHEMBL11349059 0.80 RAB9A (0.56) TSHRNPSR1RAB9ASMN1; SMN2GAA
SCHEMBL28002393 0.80 RAB9A (0.37) TSHRNPSR1RAB9ANISCHHDAC4
SCHEMBL28440436 0.76 FABP7 (0.39) RAB9AF2KMT2A
SCHEMBL14287323 0.75 EDNRA (0.41) TSHRNPSR1SMN1; SMN2NISCHEDNRA
SCHEMBL1476722 0.75 EDNRA (0.41) TSHRNPSR1SMN1; SMN2NISCHEDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12473274-B2 Heterocyclic compound as inhibitor of casein kinase 1-δ and/or activin receptor-like kinase 5 ALCHEMEDICINE, INC. (JP) 2025-11-18 US disclosed
WO-2024061340-A1 NAMPT MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-03-28 WO disclosed
US-11898009-B2 Polyimide, laminate, and electronic device including same UBE CORPORATION (JP) 2024-02-13 US disclosed
US-20230183220-A1 HETEROCYCLIC COMPOUND AS INHIBITOR OF CASEIN KINASE 1-DELTA AND/OR ACTIVIN RECEPTOR-LIKE KINASE 5 ALCHEMEDICINE, INC. (JP) 2023-06-15 US disclosed
EP-2922535-B1 THROMBIN INHIBITORS MERCK SHARP & DOHME (US) 2021-11-10 EP disclosed
EP-2922535-B1 THROMBIN INHIBITORS MERCK SHARP & DOHME (US) 2021-11-10 EP disclosed
US-20210171714-A1 POLYIMIDE, LAYERED PRODUCT, AND ELECTRONC DEVICE INCLUDING SAME UBE CORPORATION (JP) 2021-06-10 US disclosed
WO-2020208884-A1 FILM-FORMING COMPOSITION, CURED FILM, AND RETARDATION FILM JSR株式会社 2020-10-15 WO disclosed
EP-3661931-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-06-10 EP disclosed
WO-2019027054-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-02-07 WO disclosed
US-20150315141-A1 Thrombin Inhibitors MERCK SHARP & DOHME CORP. (US) 2015-11-05 US disclosed
CN-104428914-A Bulk heterojunction-type organic solar cell comprising imide-based conjugated backbone compound as photoactive material TATA STEEL NEDERLAND TECHNOLOGY BV 2015-03-18 CN disclosed
WO-2014109946-A1 COMPOSITE POLYAMIDE MEMBRANE DOW GLOBAL TECHNOLOGIES LLC (US) 2014-07-17 WO disclosed
EP-2170850-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS BIOPROJET (FR) 2010-04-07 EP disclosed
CN-100564375-C (3Z) -3- (2, 3-dihydro-1H-inden-1-ylidene) -1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN INC (US) 2009-12-02 CN disclosed
WO-2008152149-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS BIOPROJET (FR) 2008-12-18 WO disclosed
EP-1187822-A1 PROCESS FOR THE PREPARATION OF 5-CARBOXPHTHALIDE AND ITS USE FOR THE PRODUCTION OF CITALOPRAM Norpharma SpA (IT) 2002-03-20 EP disclosed
WO-2001053284-A1 PROCESS FOR THE PREPARATION OF 5-CARBOXYPHTHALIDE AND ITS USE FOR THE PRODUCTION OF CITALOPRAM INFOSINT SA (CH) 2001-07-26 WO disclosed
EP-0915888-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-05-19 EP disclosed
WO-1997040051-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-30 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 (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-20230183220-A1 HETEROCYCLIC COMPOUND AS INHIBITOR OF CASEIN KINASE 1-DELTA AND/OR ACTIVIN RECEPTOR-LIKE KINASE 5 CSNK1A1, CSNK1G1, CSNK1D TSHR 1403/4885NPSR1 1455/4885RAB9A 4019/4885
US-20150315141-A1 Thrombin Inhibitors F3, F2, F9 TSHR 20/4885NPSR1 188/4885RAB9A 1296/4885
US-12473274-B2 Heterocyclic compound as inhibitor of casein kinase 1-δ and/or activin receptor-like kinase 5 CSNK1A1, CSNK1G1, CKS1B TSHR 1373/4885NPSR1 1431/4885RAB9A 3984/4885

“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.