SCHEMBL1201329

SCHEMBL1201329

CC(C)Cc1coc(-c2cccc(-c3nc(CC(C)C)co3)n2)n1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.33
HSD17B10 Q99714 2/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
DRD2 P14416 2/20 0.31
DRD4 P21917 2/20 0.31
DRD3 P35462 2/20 0.31
ACHE P22303 1/20 0.31
PPARG P37231 3/20 0.30
PPARA Q07869 3/20 0.30
ELANE P08246 1/20 0.30
TLR7 Q9NYK1 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
SCHEMBL13615821 0.89 IDH1 (0.43) RORCHSD17B10KDM4EALDH1A1HPGD
SCHEMBL6801787 0.84 TRPM8 (0.43) HSD17B10KDM4EALDH1A1HPGDTSHR
SCHEMBL1200810 0.80 PDE4B (0.37) HSD17B10DRD2DRD4DRD3
SCHEMBL25207613 0.78 S1PR1 (0.33) KDM4EALDH1A1HPGDNOS3NOS1
SCHEMBL1201119 0.76 DRD2 (0.43) ALDH1A1HPGDTSHRDRD2DRD4
SCHEMBL9285629 0.74 HDAC3 (0.33)
SCHEMBL28446799 0.74 ALDH1A1 (0.37) HSD17B10KDM4EALDH1A1HPGDTSHR
SCHEMBL1200641 0.73 HSD17B10 (0.35) HSD17B10KDM4E
SCHEMBL31231467 0.71 HSD17B10 (0.34) HSD17B10
SCHEMBL1201341 0.71 NPC1 (0.32) HSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20110034718-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND CBR3, ACSL3, CCNL2 RORC 3971/4885HSD17B10 1417/4885GABRA1 4514/4885

“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.