SCHEMBL3270986

SCHEMBL3270986

CCC=CCC(CC)(C(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
CYP19A1 P11511 4/20 0.38
OXER1 Q8TDS5 4/20 0.38
PPARG P37231 3/20 0.38
MAPT P10636 3/20 0.38
RXRA P19793 2/20 0.38
FFAR1 O14842 2/20 0.38
PTGS1 P23219 4/20 0.35
F7 P08709 3/20 0.35
F3 P13726 3/20 0.35
PPARA Q07869 3/20 0.35
KMT2A Q03164 2/20 0.35
PPARD Q03181 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NR1I2 O75469 1/20 0.33
LMNA P02545 1/20 0.33
PLA2G1B P04054 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL2847075 0.82 MEN1 (0.33) ALDH1A1KMT2AMEN1
SCHEMBL2847072 0.82 MEN1 (0.33) ALDH1A1KMT2AMEN1
SCHEMBL3968442 0.81 ALDH1A1 (0.35) ALDH1A1CYP19A1OXER1PPARGMAPT
SCHEMBL3968440 0.81 ALDH1A1 (0.35) ALDH1A1CYP19A1OXER1PPARGMAPT
SCHEMBL7454051 0.77 CASP1 (0.30)
SCHEMBL11131461 0.74 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1
SCHEMBL51201 0.74 FFAR3 (0.41) ALDH1A1KMT2AMEN1TDP1
SCHEMBL28912262 0.73 GGPS1 (0.37) CYP19A1PPARGMAPTPTGS1F7
SCHEMBL8743592 0.73 ALDH1A1 (0.38) ALDH1A1CYP19A1OXER1PPARGMAPT
SCHEMBL2882413 0.72 ALDH1A1 (0.47) ALDH1A1CYP19A1OXER1PPARGMAPT

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
CN-116507610-A Herbicidal malonamides 巴斯夫欧洲公司 2023-07-28 CN disclosed
EP-2794576-A1 NON-SYSTEMIC TGR5 AGONISTS Ardelyx, Inc. (US) 2014-10-29 EP disclosed
WO-2013096771-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX, INC. (US) 2013-06-27 WO disclosed
EP-1618107-B1 CONDENSED N-HETEROCYCLIC COMPOUNDS AND THEIR USE AS CRF RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORK LTD (IE) 2010-06-30 EP disclosed
US-7462622-B2 Pyrrolo[2, 3-d] pyrimidine derivatives as corticotropin releasing factor antagonists GLAXO GROUP LIMITED (GB) 2008-12-09 US disclosed
EP-1395591-B1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2008-06-04 EP disclosed
EP-1383747-B1 FUSED PYRIMIDINES AS ANTAGONISTS OF THE CORTICOTROPIN RELEASING FACTOR (CRF) GLAXO GROUP LTD (GB) 2008-02-20 EP disclosed
US-20070249862-A1 Process for the Production of Polyisocyanate/Polysilicic Acid Based Resins with Widely Variable Processability and Setting Periods CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2007-10-25 US disclosed
US-7279474-B2 Substituted pyrrolo[2,3-d]pyrimidines as antagonists of the corticotropin releasing factor (CRF) GLAXO GROUP LIMITED (GB) 2007-10-09 US disclosed
EP-1809680-A1 PROCESS FOR THE PRODUCTION OF POLYISOCYANATE/POLYSI LICIC ACID BASED RESINS WITH WIDELY VARIABLE PROCESSABILITY AND SETTING PERIODS Polinvent Fejlesztö (HU) 2007-07-25 EP disclosed
EP-0682519-A4 ADENOSINE KINASE INHIBITORS. GENSIA INC (US) 1997-12-17 EP disclosed
US-5646128-A TREATING INFLAMMATION, SEPSIS, SEPTIC SHOCK, BURNS GENSIA, INC. (US) 1997-07-08 US disclosed
EP-0682519-A1 ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1995-11-22 EP disclosed
WO-1994017803-A9 ADENOSINE KINASE INHIBITORS 1994-09-29 WO disclosed
WO-1994017803-A1 ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1994-08-18 WO disclosed
EP-0496617-A1 Adenosine kinase inhibitors GENSIA, INC. (US) 1992-07-29 EP disclosed
EP-0190298-B1 4-(ISOXAZOLYL)-THIAZOLE-2-OXAMIC ACIDS AND DERIVATIVES THEREOF ZAMBON S.p.A. (IT) 1989-10-18 EP disclosed
US-4766137-A 4-(isoxazolyl)-thiazole-2-oxamic acids and derivatives thereof ZAMBON S.P.A. (IT) 1988-08-23 US disclosed
EP-0190298-A1 4-(ISOXAZOLYL)-THIAZOLE-2-OXAMIC ACIDS AND DERIVATIVES THEREOF. ZAMBON SPA (IT) 1986-08-13 EP disclosed
WO-1986000900-A1 4-(ISOXAZOLYL)-THIAZOLE-2-OXAMIC ACIDS AND DERIVATIVES THEREOF ZAMBON, S.P.A. (IT) 1986-02-13 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 (1 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-20070249862-A1 Process for the Production of Polyisocyanate/Polysilicic Acid Based Resins with Widely Variable Processability and Setting Periods ME1, PICALM, CA6 ALDH1A1 2743/4885CYP19A1 3456/4885OXER1 836/4885

“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.