SCHEMBL4430320

SCHEMBL4430320

C=CCCc1ccccc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.59
MAPT P10636 1/20 0.49
ALDH1A1 P00352 3/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.45
HMGB1 P09429 2/20 0.42
CYP3A4 P08684 1/20 0.42
KDM4E B2RXH2 2/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
SLC16A3 O15427 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
HPGD P15428 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA7 P43166 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4371725 0.88 FOLH1 (0.54) FOLH1MAPTALDH1A1ALOX15TSHR
SCHEMBL22799761 0.86 FOLH1 (0.53) FOLH1MAPTALOX15KDM4ESLC16A3
SCHEMBL22800231 0.86 FOLH1 (0.53) FOLH1MAPTALOX15KDM4ESLC16A3
SCHEMBL22799766 0.86 FOLH1 (0.53) FOLH1MAPTALOX15KDM4ESLC16A3
SCHEMBL7773123 0.84 KDM4E (0.55) FOLH1MAPTALDH1A1TSHRKMT2A
SCHEMBL13756676 0.84 CYP3A4 (0.44) FOLH1MAPTALDH1A1TSHRKMT2A
SCHEMBL1648419 0.83 FOLH1 (0.61) FOLH1MAPTALDH1A1ALOX15TSHR
SCHEMBL89060 0.82 FOLH1 (0.55) FOLH1MAPTALDH1A1ALOX15TSHR
Benzene SCHEMBL27083018 0.82 FOLH1 (0.55) FOLH1MAPTALDH1A1ALOX15TSHR
Phthalic Acid SCHEMBL23929048 0.82 ALDH1A1 (0.64) FOLH1MAPTALDH1A1ALOX15KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118084725-A 1-Cyano 2-hydroxy compound and preparation method thereof 南京工业大学 2024-05-28 CN claimed
CN-118084725-A 1-Cyano 2-hydroxy compound and preparation method thereof 南京工业大学 2024-05-28 CN disclosed
CN-112867722-B MACROCYCLIC SPIROETHERS (MACROCYCLIC SPIROETHERS) as MCL-1 inhibitors 苏州亚盛药业有限公司 2022-09-23 CN disclosed
EP-3459948-B1 FLUORINE-CONTAINING TRIAZOLOPYRIDINE, AND MANUFACTURING METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2021-11-17 EP disclosed
CN-107383002-B Fluorine-containing triazole pyridine compounds, and preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2021-07-13 CN disclosed
CN-112867722-A MACROCYCLIC SPIROETHERS (MACROCYCLIC SPIROETHERS) as MCL-1 inhibitors 苏州亚盛药业有限公司 2021-05-28 CN disclosed
US-10800776-B2 Fluorine-containing triazolopyridine, and manufacturing method, pharmaceutical composition, and application thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-10-13 US disclosed
US-20190202827-A1 FLUORINE-CONTAINING TRIAZOLOPYRIDINE, AND MANUFACTURING METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-07-04 US disclosed
EP-3459948-A1 FLUORINE-CONTAINING TRIAZOLOPYRIDINE, AND MANUFACTURING METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF Shanghai Institute Of Materia Medica Chinese Academy of Sciences (CN) 2019-03-27 EP disclosed
US-8314246-B2 Catalytic reactions involving alkenes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-11-20 US disclosed
US-20090216025-A1 Catalytic reactions involving alkenes MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-08-27 US disclosed
WO-2007027752-A1 CATALYTIC REACTIONS INVOLVING ALKENES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-03-08 WO disclosed
US-5413734-A 4-cyano-3-fluorophenyl esters HOFFMANN-LA ROCHE INC. (US) 1995-05-09 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-20190202827-A1 FLUORINE-CONTAINING TRIAZOLOPYRIDINE, AND MANUFACTURING METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF GRM2, GRM1, GRIK2 FOLH1 671/4885MAPT 1028/4885ALDH1A1 3621/4885
US-10800776-B2 Fluorine-containing triazolopyridine, and manufacturing method, pharmaceutical composition, and application thereof GRM2, GRM1, GRIK2 FOLH1 671/4885MAPT 1028/4885ALDH1A1 3621/4885
US-20090216025-A1 Catalytic reactions involving alkenes ADH5, ADH1C, ADH1A FOLH1 2032/4885MAPT 2809/4885ALDH1A1 15/4885

“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.