SCHEMBL247454

SCHEMBL247454

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

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LCK P06239 1/20 0.30
FYN P06241 1/20 0.30
CA2 P00918 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL3504770 0.83 CHRM1 (0.38) FFAR3ALDH1A1TDP1MEN1KMT2A
SCHEMBL3226142 0.81 CHRM1 (0.36) FFAR3ALDH1A1TDP1MEN1KMT2A
SCHEMBL157028 0.80
SCHEMBL329299 0.80
SCHEMBL1157667 0.78 TDP1 (0.38) FFAR3ALDH1A1TDP1MEN1KMT2A
SCHEMBL21219177 0.78 TDP1 (0.38) FFAR3ALDH1A1TDP1MEN1KMT2A
SCHEMBL487333 0.78 TDP1 (0.38) FFAR3ALDH1A1TDP1MEN1KMT2A
SCHEMBL21225948 0.78 TDP1 (0.38) FFAR3ALDH1A1TDP1MEN1KMT2A
SCHEMBL3182058 0.78 TDP1 (0.38) FFAR3ALDH1A1TDP1MEN1KMT2A
SCHEMBL11554076 0.78 TDP1 (0.38) FFAR3ALDH1A1TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1476486-B1 PROCESS FOR PREPARING A HIGH-MOLECULAR POLYAMIDE, POLYESTER, COPOLYESTER, COPOLYAMIDE OR POLYESTER-AMIDE BLOCK COPOLYMER DSM IP ASSETS BV (NL) 2007-07-11 EP claimed
EP-0960894-B1 Group IVB metal blowing catalyst compositions for the production of polyurethane foams AIR PROD & CHEM (US) 2005-08-03 EP claimed
EP-0125617-B1 Method for producing a metallized polymer from the polymer composition NISSAN CHEMICAL IND LTD (JP) 1993-12-08 EP claimed
CN-111479806-B D-amino acid oxidase inhibitors and therapeutic uses thereof 心悦生医股份有限公司 2024-01-30 CN disclosed
CN-108368235-B On-demand curable moisture-curable urethane-containing fuel-resistant prepolymers and compositions thereof PRC-迪索托国际公司 2021-06-25 CN disclosed
EP-2511273-B1 Inhibitors of viral replication, their process of preparation and their therapeutical uses HIVIH (FR) 2019-05-15 EP disclosed
EP-2697213-B1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES HIVIH (FR) 2018-12-12 EP disclosed
EP-2945932-B1 COMPOUNDS ACT AT MULTIPLE PROSTAGLANDIN RECEPTORS GIVING A GENERAL ANTI-INFLAMMATORY RESPONSE ALLERGAN INC (US) 2018-11-21 EP disclosed
US-9982015-B2 Cyclin based inhibitors of CDK2 and CDK4 UNIVERSITY OF SOUTH CAROLINA (US) 2018-05-29 US disclosed
US-20170218018-A1 CYCLIN BASED INHIBITORS OF CDK2 AND CDK4 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-08-03 US disclosed
US-9604900-B2 Inhibitors of viral replication, their process of preparation and their therapeutical uses LABORATOIRE BIODIM (FR) 2017-03-28 US disclosed
EP-1399448-A1 IMIDAZO 1,5-A] PYRIMIDO 5,4-D] BENZAZEPINE DERIVATIVES AS GABA A RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-03-24 EP disclosed
US-6686352-B2 USEFUL AS COGNITIVE ENHANCER OR FOR THERAPY OF COGNITIVE DISORDERS LIKE ALZHEIMER'S DISEASE HOFFMANN-LA ROCHE INC. 2004-02-03 US disclosed
US-20030148487-A1 1,3-dicarbonyl-dioxygenase - a new c-c-bond cleaving enzyme CODEXIS, INC. 2003-08-07 US disclosed
US-6548512-B1 Pyrazole derivatives such as 1-(3-amidinophenyl)-3-methyl-2-((5-(2'-aminosulfonylphenyl-1-yl)pyrimidin-2 -yl)aminocarbonyl)pyrazole; treating thromboembolic disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-15 US disclosed
US-20030055042-A1 Substituted imidazo [1,5-a] pyrimido [5,4-d] [1] benzazepine derivatives F. HOFFMANN-LA ROCHE AG A SWISS COMPANY (CH) 2003-03-20 US disclosed
WO-2003016428-A2 TRIBOLUMINESCENT MATERIALS AND DEVICES CONTAINING THEM QINETIQ LIMITED (GB) 2003-02-27 WO disclosed
WO-2003016427-A2 PHOTOLUMINESCENT COMPOUNDS QINETIQ LIMITED (GB) 2003-02-27 WO disclosed
WO-2002094834-A1 IMIDAZO [1,5-A] PYRIMIDO [5,4-D] BENZAZEPINE DERIVATIVES AS GABA A RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-11-28 WO disclosed
US-6020357-A CARDIOVASCULAR DISORDERS; ANTCOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 2000-02-01 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-20170218018-A1 CYCLIN BASED INHIBITORS OF CDK2 AND CDK4 CDK4, CDK2, CDK8 FFAR3 4342/4885ALDH1A1 4528/4885TDP1 2445/4885
US-20030055042-A1 Substituted imidazo [1,5-a] pyrimido [5,4-d] [1] benzazepine derivatives GALR1, GALR2, ADRA1A FFAR3 138/4885ALDH1A1 444/4885TDP1 3985/4885
US-20030148487-A1 1,3-dicarbonyl-dioxygenase - a new c-c-bond cleaving enzyme ALDH7A1, CMBL, DDO FFAR3 3943/4885ALDH1A1 86/4885TDP1 1954/4885

“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.