SCHEMBL1200641

SCHEMBL1200641

CC(C)c1coc(-c2cccc(-c3nc(C(C)C)co3)n2)n1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.35
HAO1 Q9UJM8 1/20 0.32
ROCK2 O75116 1/20 0.32
CCR1 P32246 1/20 0.31
CCR8 P51685 1/20 0.31
MEN1 O00255 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
HTT P42858 1/20 0.31
NOTUM Q6P988 1/20 0.30
CHRNA7 P36544 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL31231467 0.98 HSD17B10 (0.34) HSD17B10HAO1ROCK2CCR1CCR8
SCHEMBL12680095 0.88 IDH1 (0.43) HAO1
SCHEMBL1201341 0.82 NPC1 (0.32) HSD17B10RAB9A
SCHEMBL30414937 0.79 NOS3 (0.40)
SCHEMBL30414750 0.78 ESR1 (0.32) HAO1
SCHEMBL14701593 0.77 ALDH1A1 (0.46) HSD17B10RAB9ANOTUMKDM4E
SCHEMBL30414485 0.76
SCHEMBL30415010 0.76 CALM1 (0.34) HAO1RAB9A
SCHEMBL30414242 0.75 ENPP3 (0.35) CCR1CCR8RAB9AKDM4E
SCHEMBL30414462 0.74 CYP3A4 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115836041-B Process for producing optically active compound 住友化学株式会社 2024-09-17 CN disclosed
US-20230257408-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-08-17 US disclosed
EP-4186882-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-05-31 EP disclosed
CN-115836041-A Process for producing optically active compound 住友化学株式会社 2023-03-21 CN disclosed
EP-2264005-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND SUMITOMO CHEMICAL CO (JP) 2015-12-02 EP disclosed
US-8309753-B2 Method for producing optically active cyanohydrin compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-13 US disclosed
US-20110034718-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-10 US disclosed
EP-2264005-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-12-22 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 (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-20230257408-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND SIRT1, SIRT3, HCCS HSD17B10 472/4885HAO1 2800/4885ROCK2 275/4885
US-20110034718-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND CBR3, ACSL3, CCNL2 HSD17B10 1417/4885HAO1 938/4885ROCK2 1759/4885

“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.