SCHEMBL17290503

SCHEMBL17290503

CC(C)c1cc(O)n(-c2ccccc2)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
GAA P10253 1/20 0.65
MAPK13 O15264 1/20 0.54
MAPK12 P53778 1/20 0.54
MAPK11 Q15759 1/20 0.54
MAPK14 Q16539 1/20 0.54
KCNJ6 P48051 5/20 0.49
KCNJ5 P48544 5/20 0.49
KCNJ3 P48549 5/20 0.49
MAPK1 P28482 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
FCGR1A P12314 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4C Q9H3R0 1/20 0.40
NTRK1 P04629 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
GRN P28799 1/20 0.39

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
SCHEMBL23399290 0.85 KCNJ6 (0.50) ALDH1A1GAAMAPK13MAPK12MAPK11
SCHEMBL20681363 0.82 ALDH1A1 (0.62) ALDH1A1GAAMAPK13MAPK12MAPK11
SCHEMBL23400493 0.82 KCNJ6 (0.50) ALDH1A1GAAMAPK13MAPK12MAPK11
SCHEMBL12385633 0.81 ALDH1A1 (0.60) ALDH1A1GAAMAPK13MAPK12MAPK11
SCHEMBL1012992 0.79 CYP1A2 (0.62) ALDH1A1GAAMAPK13MAPK12MAPK11
SCHEMBL23398657 0.79 ALDH1A1 (0.45) ALDH1A1GAAMAPK13MAPK12MAPK11
SCHEMBL23399292 0.79 ALDH1A1 (0.43) ALDH1A1GAAMAPK13MAPK12MAPK11
SCHEMBL4498910 0.79 ALDH1A1 (1.00) ALDH1A1GAAMAPK13MAPK12MAPK11
SCHEMBL13221532 0.79 ALDH1A1 (0.58) ALDH1A1GAAMAPK13MAPK12MAPK11
SCHEMBL16770394 0.78 ALDH1A1 (0.42) ALDH1A1GAAMAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119930520-A N-aryl pyrazole compound, and pharmaceutical composition and application thereof 中国药科大学 2025-05-06 CN disclosed
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed
US-20210079017-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-03-18 US disclosed
US-9682938-B2 Pyrazolone derivatives as nitroxyl donors CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-06-20 US disclosed
EP-3148972-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS Cardioxyl Pharmaceuticals Inc. (US) 2017-04-05 EP disclosed
WO-2015183839-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. (US) 2015-12-03 WO disclosed
US-20150344437-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2015-12-03 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-20150344437-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS TNNI3, PFKP, NOX5 ALDH1A1 1883/4885GAA 1354/4885MAPK13 3571/4885
US-20210079017-A1 NEPRILYSIN INHIBITORS MME, REN, ACE ALDH1A1 2644/4885GAA 125/4885MAPK13 3549/4885

“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.