SCHEMBL922833

SCHEMBL922833

CCCCc1ccc(Oc2ccc(C#N)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.63
HSD17B10 Q99714 1/20 0.63
CYP2A6 P11509 1/20 0.50
MGLL Q99685 2/20 0.47
CACNA1B Q00975 2/20 0.46
CACNA1G O43497 1/20 0.46
LTA4H P09960 2/20 0.44
PARP15 Q460N3 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
RAB9A P51151 2/20 0.43
PGR P06401 1/20 0.43
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
CYP19A1 P11511 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL921444 0.89 CYP2A6 (0.53) TSHRHSD17B10CYP2A6MGLLCACNA1B
SCHEMBL31343785 0.89 TSHR (0.82) TSHRHSD17B10MGLLRAB9ACYP19A1
SCHEMBL3753968 0.89 HSD17B10 (0.76) TSHRHSD17B10CYP2A6RAB9ALOXL2
SCHEMBL19043186 0.88 TSHR (0.61) TSHRHSD17B10CYP2A6MGLLRAB9A
SCHEMBL10568033 0.87 HSD17B10 (0.79) TSHRHSD17B10CYP2A6RAB9ALOXL2
SCHEMBL10569452 0.85 HSD17B10 (0.83) TSHRHSD17B10CYP2A6MGLLLOXL2
SCHEMBL145761 0.85 LTA4H (0.52) HSD17B10LTA4HKDM4ELMNA
SCHEMBL10456991 0.84 TSHR (0.86) TSHRHSD17B10CYP2A6LOXL2MEN1
SCHEMBL2034343 0.84 TSHR (0.86) TSHRHSD17B10CYP2A6LOXL2MEN1
SCHEMBL2997975 0.83 HSD17B10 (0.86) TSHRHSD17B10CYP2A6MGLLLOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101951771-A Composition for agricultural use for controlling or preventing plant diseases caused by plant pathogens SUMITOMO CHEMICAL CO 2011-01-19 CN disclosed
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 TSHR 2588/4885HSD17B10 1285/4885CYP2A6 3797/4885

“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.