SCHEMBL14769654

SCHEMBL14769654

Ic1cnc2ccc(OCc3ccccc3)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.57
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
PDGFRB P09619 1/20 0.53
PDGFRA P16234 1/20 0.53
CYP3A4 P08684 2/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HSP90AA1 P07900 2/20 0.48
APP P05067 1/20 0.46
IP6K1 Q92551 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
LCK P06239 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
PTGS1 P23219 1/20 0.44

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
SCHEMBL12470770 0.82 ALOX5 (0.57) ALOX5NPC1RAB9APDGFRBPDGFRA
SCHEMBL14769659 0.82 PDGFRB (0.57) ALOX5NPC1RAB9APDGFRBPDGFRA
SCHEMBL9127192 0.81 ALOX5 (0.73) ALOX5NPC1RAB9ACYP3A4MEN1
SCHEMBL25220382 0.79 CYP4F2 (0.58) ALOX5NPC1RAB9APDGFRBPDGFRA
SCHEMBL31052328 0.79 CYP4F2 (0.58) ALOX5NPC1RAB9APDGFRBPDGFRA
SCHEMBL23247030 0.79 ALOX5 (0.53) ALOX5NPC1RAB9APDGFRBPDGFRA
SCHEMBL14784133 0.78 PDGFRB (0.60) ALOX5NPC1RAB9APDGFRBPDGFRA
SCHEMBL4035810 0.77 CYP3A4 (0.77) ALOX5NPC1RAB9ACYP3A4MEN1
SCHEMBL27994380 0.77 ALDH1A1 (0.57) ALOX5NPC1RAB9APDGFRBPDGFRA
SCHEMBL25258837 0.77 PDGFRB (0.60) ALOX5NPC1RAB9APDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130065922-A1 NOVEL AMIDES AS FUNGICIDES SYNGENTA CROP PROTECTION LLC (US) 2013-03-14 US 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-20130065922-A1 NOVEL AMIDES AS FUNGICIDES CYP51A1, DDT, CYP4X1 ALOX5 2833/4885NPC1 2192/4885RAB9A 1375/4885

“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.