SCHEMBL1712449

SCHEMBL1712449

Fc1cccc(OCc2cc[c]cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
TRPV3 Q8NET8 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KLKB1 P03952 2/20 0.35
DRD4 P21917 1/20 0.35
RXRA P19793 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRM5 P41594 1/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL608607 0.84 TSHR (0.45) CYP11B1CYP11B2TRPV3GRM5PTGS1
SCHEMBL1680857 0.81 MAOB (0.50) MEN1KMT2ANPC1RAB9AKLKB1
SCHEMBL17696415 0.80 MAOB (0.45) CYP11B1CYP11B2MEN1KMT2ANPC1
SCHEMBL1712208 0.80 GABRA5 (0.45) CYP11B1CYP11B2TRPV3MEN1KMT2A
SCHEMBL510206 0.80 CYP11B1 (0.55) CYP11B1CYP11B2RAB9AGRM5
SCHEMBL16093384 0.78 SENP8 (0.39) CYP11B1CYP11B2MEN1KMT2ANPC1
SCHEMBL509264 0.76 MAOA (0.48) CYP11B1CYP11B2MEN1KMT2ANPC1
SCHEMBL17129497 0.76 IDO1 (0.45) CYP11B1CYP11B2TRPV3MEN1KMT2A
SCHEMBL16093383 0.74 CYP11B1 (0.37) CYP11B1CYP11B2TRPV3MEN1KMT2A
SCHEMBL1712287 0.74 NPC1 (0.54) CYP11B1CYP11B2NPC1RAB9AGRM5

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
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
US-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-18 US disclosed
WO-2008126684-A2 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-23 WO 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-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES HDHD5, NAAA, BROX CYP11B1 3464/4885CYP11B2 3688/4885TRPV3 3349/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 CYP11B1 341/4885CYP11B2 403/4885TRPV3 1853/4885

“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.