SCHEMBL616174

SCHEMBL616174

C=CCC(O)(CC=C)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
TSHR P16473 1/20 0.57
HTT P42858 1/20 0.53
CYP2C19 P33261 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.44
HRH3 Q9Y5N1 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ATM Q13315 1/20 0.36
ACSS2 Q9NR19 1/20 0.35
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL10553210 0.90 ALDH1A1 (0.52) ALDH1A1TSHRHTTCYP2C19CYP1A2
SCHEMBL1596824 0.90 ALDH1A1 (0.52) ALDH1A1TSHRHTTCYP2C19CYP1A2
SCHEMBL10550998 0.90 ALDH1A1 (0.52) ALDH1A1TSHRHTTCYP2C19CYP1A2
SCHEMBL10358475 0.88 TSHR (0.50) ALDH1A1TSHRHTTCYP2C19CYP1A2
SCHEMBL11032404 0.88 ALDH1A1 (0.50) ALDH1A1TSHRHTTCYP2C19CYP1A2
SCHEMBL15436344 0.88 ALDH1A1 (0.50) ALDH1A1TSHRHTTCYP2C19CYP1A2
SCHEMBL12076544 0.86 ALDH1A1 (0.49) ALDH1A1TSHRHTTCYP2C19CYP1A2
SCHEMBL9284492 0.86 ALDH1A1 (0.49) ALDH1A1TSHRHTTCYP2C19CYP1A2
SCHEMBL117995 0.85 TSHR (0.47) ALDH1A1TSHRHTTCYP2C19CYP1A2
SCHEMBL117770 0.83 ALDH1A1 (0.46) ALDH1A1TSHRHTTCYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0539682-B1 Agent for preserving wood and woodey materials, process for the preparation and use thereof DESOWAG MATERIALSCHUTZ GMBH (DE) 1994-12-07 EP claimed
EP-0539682-A1 Agent for preserving wood and woodey materials, process for the preparation and use thereof DESOWAG Materialschutz GmbH (DE) 1993-05-05 EP claimed
JP-59152358-A None JP disclosed
US-12240810-B2 Chiral-substituted poly-N-vinylpyrrolidinones and complexes with bimetallic nanoclusters and uses thereof in asymmetric oxidation reactions KANSAS STATE UNIVERSITY RESEARCH (US) 2025-03-04 US disclosed
US-20220204447-A1 CHIRAL-SUBSTITUTED POLY-N-VINYLPYRROLIDINONES AND COMPLEXES WITH BIMETALLIC NANOCLUSTERS AND USES THEREOF IN ASYMMETRIC OXIDATION REACTIONS NATIONAL SCIENCE FOUNDATION 2022-06-30 US disclosed
US-20220204447-A1 CHIRAL-SUBSTITUTED POLY-N-VINYLPYRROLIDINONES AND COMPLEXES WITH BIMETALLIC NANOCLUSTERS AND USES THEREOF IN ASYMMETRIC OXIDATION REACTIONS NATIONAL SCIENCE FOUNDATION 2022-06-30 US disclosed
CN-112513027-A Indazole amine derivative, preparation method and medical application thereof 浙江海正药业股份有限公司 2021-03-16 CN disclosed
WO-2020163295-A1 CHIRAL-SUBSTITUTED POLY-N-VINYLPYRROLIDINONES AND COMPLEXES WITH BIMETALLIC NANOCLUSTERS AND USES THEREOF IN ASYMMETRIC OXIDATION REACTIONS KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2020-08-13 WO disclosed
WO-2020035019-A1 INDAZOLE AMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 浙江海正药业股份有限公司 2020-02-20 WO disclosed
EP-2217576-B1 BENZODIAZEPINONE COMPOUNDS USEFUL IN THE TREATMENT OF SKIN CONDITIONS UNIV MICHIGAN (US) 2016-05-11 EP disclosed
US-8759340-B2 Benzodiazepinone compounds useful in the treatment of skin conditions THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-06-24 US disclosed
EP-0073301-B1 PROCESS FOR THE PREPARATION OF ALPHA, BETA AND BETA, GAMMA UNSATURATED KETONES FIRMENICH SA (CH) 1984-11-21 EP disclosed
JP-S59152358-A PREPARATION OF N-(ALPHA,ALPHA-DIALKYLBENZYL)PHENYLACETAMIDE DERIVATIVE IDEMITSU KOSAN CO LTD 1984-08-31 JP disclosed
US-4453011-A BASIFICATION OF A DIALLYL CARBINOL FIRMENICH SA (CH) 1984-06-05 US disclosed
EP-0073301-A1 Process for the preparation of alpha, beta and beta, gamma unsaturated ketones FIRMENICH SA (CH) 1983-03-09 EP disclosed
US-4188338-A ANTICOAGULANTS AKZONA INCORPORATED (US) 1980-02-12 US disclosed
US-4173652-A ANTICOAGULANTS AKZONA INCORPORATED (US) 1979-11-06 US disclosed
US-4071570-A ANTIARRHYTHMIC AGENTS MERCK & CO., INC. (US) 1978-01-31 US disclosed
US-4017543-A ANTIARRHYTHMIA MERCK & CO., INC. (US) 1977-04-12 US disclosed
US-3978127-A ANTIARRHYTHMIC MERCK & CO., INC. (US) 1976-08-31 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 (2 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-20220204447-A1 CHIRAL-SUBSTITUTED POLY-N-VINYLPYRROLIDINONES AND COMPLEXES WITH BIMETALLIC NANOCLUSTERS AND USES THEREOF IN ASYMMETRIC OXIDATION REACTIONS DHPS, PCBP1, PNKP ALDH1A1 836/4885TSHR 4441/4885HTT 3989/4885
US-12240810-B2 Chiral-substituted poly-N-vinylpyrrolidinones and complexes with bimetallic nanoclusters and uses thereof in asymmetric oxidation reactions DHPS, PCBP1, PNKP ALDH1A1 836/4885TSHR 4441/4885HTT 3989/4885

“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.