SCHEMBL47357

SCHEMBL47357

C=C(C)c1ccc(C=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.54
ALDH1A1 P00352 7/20 0.54
ALDH5A1 P51649 1/20 0.48
ABAT P80404 1/20 0.48
KDM4E B2RXH2 2/20 0.43
TYR P14679 1/20 0.43
CYP2A13 Q16696 1/20 0.43
PARP10 Q53GL7 1/20 0.42
PARP3 Q9Y6F1 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A3 P47895 2/20 0.40
ALDH3A1 P30838 1/20 0.40
EGFR P00533 1/20 0.39
PTGS2 P35354 1/20 0.38
RAB9A P51151 1/20 0.38
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL19232951 0.94 ALDH1A1 (0.48) CYP2A6ALDH1A1ALDH5A1ABATKDM4E
SCHEMBL27717499 0.80 ALDH1A1 (0.58) CYP2A6ALDH1A1ALDH5A1ABATKDM4E
SCHEMBL56361 0.79 MAPT (0.40) ALDH1A1HSD17B10RAB9ATDP1L3MBTL1
SCHEMBL97268 0.78 ALDH1A1 (0.62) CYP2A6ALDH1A1ALDH5A1ABATKDM4E
SCHEMBL13617872 0.78 ALDH1A1 (0.62) CYP2A6ALDH1A1ALDH5A1ABATKDM4E
SCHEMBL1760727 0.78 ALDH1A1 (0.55) ALDH1A1GLAPOLBTDP1L3MBTL1
SCHEMBL19312074 0.76 ALDH1A1 (0.54) CYP2A6ALDH1A1ALDH5A1ABATKDM4E
SCHEMBL22105678 0.76 ESR1 (0.35) ALDH1A1GLAPOLBTDP1L3MBTL1
SCHEMBL14388670 0.76 ALDH1A1 (0.54) CYP2A6ALDH1A1ALDH5A1ABATKDM4E
SCHEMBL7596929 0.76 MAPT (0.38) ALDH1A1HSD17B10RAB9ATDP1L3MBTL1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113387789-A Compound for resisting plant pathogenic fungi 浙江清华长三角研究院 2021-09-14 CN claimed
JP-2151605-A None JP disclosed
WO-2023171783-A1 PYRAZOLE COMPOUND, AND NOXIOUS ORGANISM CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学アグロ株式会社 2023-09-14 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
CN-113387789-A Compound for resisting plant pathogenic fungi 浙江清华长三角研究院 2021-09-14 CN disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
US-20120128630-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARAMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE VIVALIS (FR) 2012-05-24 US disclosed
EP-2451800-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE Vivalis (FR) 2012-05-16 EP disclosed
US-8087767-B2 Inkjet ink set E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-01-03 US disclosed
WO-2011157670-A2 NOVEL PROCESS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-22 WO disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
WO-2011004017-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE VIVALIS (FR) 2011-01-13 WO disclosed
US-20070211126-A1 Inkjet ink set E. I. DU PONT DE NEMOURS AND COMPANY 2007-09-13 US disclosed
JP-H02151605-A POLY(ALPHA-METHYLSTYRENE) COMPOUND HAVING HYDRAZONE GROUP ON SIDE CHAIN AND MANUFACTURE THEREOF NEC CORP 1990-06-11 JP disclosed
EP-0352672-A2 Process for the preparation of alkenyl aromatic compounds BASF Aktiengesellschaft (DE) 1990-01-31 EP 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-20120128630-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARAMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE NAT1, POLM, PYGL CYP2A6 199/4885ALDH1A1 1657/4885ALDH5A1 658/4885

“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.