SCHEMBL508464

SCHEMBL508464

CCO/C(CC)=C(\C#N)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
SOAT1 P35610 1/20 0.38
CYP2C9 P11712 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 2/20 0.34
HSD17B10 Q99714 1/20 0.34
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL188482 1.00 ALDH1A1 (0.42) ALDH1A1TSHRL3MBTL1SOAT1CYP2C9
SCHEMBL4642638 1.00 ALDH1A1 (0.42) ALDH1A1TSHRL3MBTL1SOAT1CYP2C9
SCHEMBL600809 0.85 ALDH1A1 (0.40) ALDH1A1TSHRL3MBTL1SOAT1CYP2C9
SCHEMBL600808 0.85 ALDH1A1 (0.40) ALDH1A1TSHRL3MBTL1SOAT1CYP2C9
SCHEMBL4517991 0.84 ALDH1A1 (0.52) ALDH1A1TSHRL3MBTL1SOAT1CYP2C9
SCHEMBL4517988 0.84 ALDH1A1 (0.52) ALDH1A1TSHRL3MBTL1SOAT1CYP2C9
SCHEMBL16269710 0.84 ALDH1A1 (0.52) ALDH1A1TSHRL3MBTL1SOAT1CYP2C9
SCHEMBL6211263 0.82 ALOX15 (0.41) ALDH1A1TSHRL3MBTL1SOAT1CYP2C9
SCHEMBL6211261 0.82 ALOX15 (0.41) ALDH1A1TSHRL3MBTL1SOAT1CYP2C9
SCHEMBL16269712 0.82 ALDH1A1 (0.38) ALDH1A1TSHRL3MBTL1CYP2C9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117843616-B 3-Cyano-substituted quinoline compound, and pharmaceutical composition and application thereof 中国药科大学 2025-05-27 CN disclosed
CN-117843616-A 3-cyano-substituted quinoline compound, and pharmaceutical composition and application thereof 中国药科大学 2024-04-09 CN disclosed
CN-108473497-B EP4 antagonists 卫材R&D 管理有限公司 2021-09-10 CN disclosed
CN-110914263-A Substituted bicyclic heterocyclic compounds as NADPH oxidase inhibitors 格兰马克药品股份有限公司 2020-03-24 CN disclosed
EP-3215505-B1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma AG (DE) 2019-07-24 EP disclosed
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-06 US disclosed
US-9920059-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-20 US disclosed
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-23 US disclosed
EP-3215505-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma Aktiengesellschaft (DE) 2017-09-13 EP disclosed
US-20170226107-A1 Heterocyclic Compounds as Pesticides BRETSCHNEIDER, NIKLAS TIM (DE) 2017-08-10 US disclosed
US-9688681-B2 Heterocyclic compounds as pest control agents BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-06-27 US disclosed
WO-2016071216-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-12 WO disclosed
US-20160122353-A1 HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-05-05 US disclosed
US-20120028973-A1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2012-02-02 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 (5 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-20170226107-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, GLRX3 ALDH1A1 1260/4885TSHR 451/4885L3MBTL1 535/4885
US-20160122353-A1 HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, NISCH, ACHE ALDH1A1 2915/4885TSHR 3554/4885L3MBTL1 129/4885
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use HAMP, SERPINC1, PRSS8 ALDH1A1 404/4885TSHR 3606/4885L3MBTL1 4443/4885
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE HAMP, SERPINC1, PRSS8 ALDH1A1 404/4885TSHR 3606/4885L3MBTL1 4443/4885
US-20120028973-A1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY NOX5, MT-ND5, NQO1 ALDH1A1 1870/4885TSHR 1851/4885L3MBTL1 3585/4885

“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.