SCHEMBL922641

SCHEMBL922641

Cc1cccc(C)c1Oc1ccc(C#N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.53
SCN8A Q9UQD0 1/20 0.47
PGR P06401 5/20 0.46
CYP19A1 P11511 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP2A6 P11509 1/20 0.45
SLC6A4 P31645 1/20 0.44
PARP15 Q460N3 1/20 0.43
PARP10 Q53GL7 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
IL18 Q14116 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
SCHEMBL921249 0.83 PGR (0.45) ARPGRCYP19A1ALDH1A1CYP2A6
SCHEMBL924026 0.83 AR (0.55) ARPGRCYP19A1ALDH1A1CYP2A6
SCHEMBL6551650 0.83 AR (0.43) ARSCN8APGRCYP19A1ALDH1A1
SCHEMBL31070289 0.79 AR (0.59) ARCYP19A1ALDH1A1CYP2A6SLC6A4
SCHEMBL11602546 0.79 AR (0.59) ARCYP19A1ALDH1A1CYP2A6SLC6A4
SCHEMBL11332971 0.78 MAPT (0.48) ARPGRCYP19A1SLC6A4PARP15
SCHEMBL11602611 0.78 PGR (0.41) ARPGRCYP19A1ALDH1A1CYP2A6
SCHEMBL522176 0.77 AR (0.68) ARCYP19A1ALDH1A1MAOBPDE4B
SCHEMBL21596734 0.77 PGR (0.43) ARPGRCYP19A1SLC6A4PARP15
SCHEMBL7041250 0.76 PARP15 (0.63) ARPGRCYP19A1ALDH1A1CYP2A6

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 AR 4285/4885SCN8A 1903/4885PGR 3863/4885

“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.