SCHEMBL12019536

SCHEMBL12019536

Cc1oc(=O)c(C)c(C)c1C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH2 P05091 5/20 0.44
▸ ALDH1A2 O94788 4/20 0.44
▸ ALDH1B1 P30837 4/20 0.44
▸ ALDH1A3 P47895 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ HSD17B3 P37058 1/20 0.32
▸ NQO1 P15559 1/20 0.30

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
SCHEMBL12019531 0.77 KDM4E (0.45) ALDH2ALDH1A2ALDH1B1ALDH1A3KDM4E
SCHEMBL278526 0.73 — —
SCHEMBL11859981 0.73 ALDH2 (0.32) ALDH2ALDH1A2ALDH1B1ALDH1A3KDM4E
SCHEMBL11996096 0.72 ALDH2 (0.31) ALDH2ALDH1A2ALDH1B1ALDH1A3
SCHEMBL1400093 0.71 LIPE (0.31) ALDH2ALDH1A2ALDH1B1ALDH1A3KDM4E
Hydrogen Sulfide SCHEMBL23148272 0.70 POLB (0.33) —
SCHEMBL13431325 0.69 ALDH1A1 (0.39) ALDH2ALDH1A2ALDH1B1ALDH1A3ALDH1A1
SCHEMBL12558040 0.67 KDM4E (0.40) ALDH2ALDH1A2ALDH1B1ALDH1A3KDM4E
SCHEMBL905101 0.67 — —
SCHEMBL15142248 0.61 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107484766-A Agricultural chemicals and preparation, application process based on natural cumarin essential oil in common fig leaf juice 郑州市汇川农业科技有限公司 2017-12-19 — — CN claimed
CN-107484766-A Agricultural chemicals and preparation, application process based on natural cumarin essential oil in common fig leaf juice 郑州市汇川农业科技有限公司 2017-12-19 — — CN disclosed
US-8907089-B2 Fused heterocyclic ring derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-09 — — US disclosed
US-20120220570-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-30 — — US disclosed
CN-1153784-C Metallocene compound, its preparation method and its application in polymerization of olefine 北京燕山石油化工公司研究院 2004-06-16 — — CN disclosed
CN-1263110-A Metallocene compound, its preparation method and its application in polymerization of olefine RES INST BEIJING YANSHAN PETRO (CN) 2000-08-16 — — CN 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-20120220570-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH ALDH2 978/4885ALDH1A2 230/4885ALDH1B1 353/4885

“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.

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