SCHEMBL921444

SCHEMBL921444

CCCc1ccc(Oc2ccc(C#N)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.53
TSHR P16473 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CACNA1B Q00975 2/20 0.48
CACNA1G O43497 1/20 0.48
PARP15 Q460N3 1/20 0.46
PARP10 Q53GL7 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
LOXL2 Q9Y4K0 2/20 0.46
PSMB5 P28074 1/20 0.45
RAB9A P51151 2/20 0.45
PGR P06401 1/20 0.45
MAOB P27338 2/20 0.45
MAOA P21397 1/20 0.45
CYP19A1 P11511 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL922833 0.89 TSHR (0.63) CYP2A6TSHRHSD17B10CACNA1BCACNA1G
SCHEMBL885099 0.88 CYP2A6 (0.67) CYP2A6TSHRHSD17B10LOXL2MAOB
SCHEMBL15604704 0.85 CYP2A6 (0.76) CYP2A6TSHRHSD17B10CACNA1BCACNA1G
SCHEMBL2202805 0.84 THRB (0.52) RAB9AKMT2A
SCHEMBL921857 0.84 FFAR1 (0.45) PGR
SCHEMBL31343785 0.82 TSHR (0.82) TSHRHSD17B10RAB9ACYP19A1KDM4E
SCHEMBL10568237 0.82 HSD17B10 (0.73) CYP2A6TSHRHSD17B10LOXL2MAOB
SCHEMBL10456965 0.82 TSHR (0.73) CYP2A6TSHRHSD17B10LOXL2CYP19A1
SCHEMBL2041798 0.82 TSHR (0.73) CYP2A6TSHRHSD17B10LOXL2CYP19A1
SCHEMBL9317548 0.81 TSHR (0.71) CYP2A6TSHRHSD17B10LOXL2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 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-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 CYP2A6 3797/4885TSHR 2588/4885HSD17B10 1285/4885

“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.