SCHEMBL94676

SCHEMBL94676

CCO/C=C/C(=O)OCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.58
MAPT P10636 5/20 0.47
NPSR1 Q6W5P4 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ALDH1A1 P00352 3/20 0.42
ATM Q13315 1/20 0.41
TTR P02766 1/20 0.41
DPP4 P27487 1/20 0.41
CASP1 P29466 1/20 0.41
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX15 P16050 1/20 0.39
MDM2 Q00987 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 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
SCHEMBL6445496 1.00 HCAR2 (0.58) HCAR2MAPTNPSR1CA12CA1
SCHEMBL94677 1.00 HCAR2 (0.58) HCAR2MAPTNPSR1CA12CA1
SCHEMBL361271 0.85 HCAR2 (0.59) HCAR2MAPTNPSR1CA12CA1
SCHEMBL1888855 0.85 HCAR2 (0.59) HCAR2MAPTNPSR1CA12CA1
SCHEMBL28399684 0.85 HCAR2 (0.52) HCAR2MAPTNPSR1CA12CA1
SCHEMBL31058784 0.82 HCAR2 (0.46) HCAR2MAPTNPSR1CA12CA1
SCHEMBL30965305 0.82 HCAR2 (0.46) HCAR2MAPTNPSR1CA12CA1
Diethyl Maleate SCHEMBL43033 0.82 HCAR2 (0.80) HCAR2MAPTNPSR1CA12CA1
Diethyl Maleate SCHEMBL42602 0.82 HCAR2 (0.80) HCAR2MAPTNPSR1CA12CA1
Diethyl Maleate SCHEMBL60423 0.82 HCAR2 (0.80) HCAR2MAPTNPSR1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250075147-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING NEW FLAVOR AND FRAGRANCE INGREDIENTS OSMO LABS, PBC 2025-03-06 US claimed
CN-119371609-A Curing composition, preparation method and application thereof 天合光能股份有限公司 2025-01-28 CN claimed
CN-114015299-A Preparation and application of composite nano antibacterial and antiviral coating 宿迁空天新材料有限公司 2022-02-08 CN claimed
CN-109438237-B Preparation method of 3-ethoxy ethyl acrylate 浙江华方药业股份有限公司 2021-05-28 CN claimed
CN-110003214-A Substituted pyrazolo [1,5-a] pyrimidine compound as TRK kinase inhibitor 阵列生物制药公司 2019-07-12 CN claimed
US-7285686-B2 Process for the preparation of 1,3-substituted indenes PFIZER INC (US) 2007-10-23 US claimed
EP-1567483-A1 IMPROVED PROCESS FOR THE PREPARATION OF 1,3-SUBSTITUTED INDENES Pfizer Products Inc. (US) 2005-08-31 EP claimed
US-20050004379-A1 Process for the preparation of 1,3-substituted indenes PFIZER INC 2005-01-06 US claimed
WO-2004048318-A1 IMPROVED PROCESS FOR THE PREPARATION OF 1,3-SUBSTITUTED INDENES PFIZER PRODUCTS INC. (US) 2004-06-10 WO claimed
US-20030073834-A1 Purine compounds having PDE IV inhibitory activity and methods of synthesis CAVALLA DAVID J (GB) 2003-04-17 US claimed
EP-1045850-A4 PURINE COMPOUNDS HAVING PDE IV INHIBITORY ACTIVITY AND METHODS OF SYNTHESIS EURO CELTIQUE SA (LU) 2001-10-31 EP claimed
EP-1045850-A1 PURINE COMPOUNDS HAVING PDE IV INHIBITORY ACTIVITY AND METHODS OF SYNTHESIS Euro-Celtique S.A. (LU) 2000-10-25 EP claimed
WO-1999029694-A1 PURINE COMPOUNDS HAVING PDE IV INHIBITORY ACTIVITY AND METHODS OF SYNTHESIS EURO-CELTIQUE, S.A. (LU) 1999-06-17 WO claimed
EP-0132851-B1 5-SUBSTITUTED(1,2,4)TRIAZOLO(1,5-C)PYRIMIDIN-2-AMINES AMERICAN CYANAMID COMPANY (US) 1989-10-04 EP claimed
EP-0132851-A1 5-Substituted(1,2,4)triazolo(1,5-c)pyrimidin-2-amines AMERICAN CYANAMID COMPANY (US) 1985-02-13 EP claimed
JP-62089642-A None JP disclosed
US-20260027217-A1 DEGRADERS THAT TARGET ALK AND THERAPEUTIC USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2026-01-29 US disclosed
US-4579848-A ANTIASTHMA AGENTS AMERICAN CYANAMID COMPANY (US) 1986-04-01 US disclosed
EP-0132851-A1 5-Substituted(1,2,4)triazolo(1,5-c)pyrimidin-2-amines AMERICAN CYANAMID COMPANY (US) 1985-02-13 EP disclosed
US-4405622-A [1-(1,4-Benzodioxan-2-yl)-4-(4-aminopyrimidin-2-yl]piperazines useful as anti-depressants SYNTEX (U.S.A.) INC. (US) 1983-09-20 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-20260027217-A1 DEGRADERS THAT TARGET ALK AND THERAPEUTIC USES THEREOF ALK, IGF1R, PDGFRB HCAR2 2984/4885MAPT 1393/4885NPSR1 812/4885
US-20050004379-A1 Process for the preparation of 1,3-substituted indenes NISCH, DHPS, INA HCAR2 3945/4885MAPT 430/4885NPSR1 905/4885
US-20030073834-A1 Purine compounds having PDE IV inhibitory activity and methods of synthesis PDE3B, PDE3A, PDE4A HCAR2 1336/4885MAPT 4851/4885NPSR1 1983/4885

“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.