SCHEMBL3462941

SCHEMBL3462941

CCOc1ccc(C=Cc2ccc(NC(=O)O)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.66
KMT2A Q03164 3/20 0.61
POLB P06746 2/20 0.61
MEN1 O00255 2/20 0.61
LMNA P02545 2/20 0.61
CYP1A2 P05177 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
RELA Q04206 1/20 0.60
ALDH1A1 P00352 3/20 0.59
MAPT P10636 6/20 0.56
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
HTT P42858 2/20 0.55
HPGD P15428 1/20 0.55
KDM4E B2RXH2 1/20 0.55
FAAH O00519 1/20 0.54
MAOB P27338 1/20 0.54
MAPK1 P28482 1/20 0.52

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
SCHEMBL3462939 1.00 EGFR (0.66) EGFRKMT2APOLBMEN1LMNA
SCHEMBL4189931 0.90 KMT2A (0.73) EGFRKMT2APOLBMEN1LMNA
Fluoride SCHEMBL11793913 0.89 KMT2A (0.71) EGFRKMT2APOLBMEN1LMNA
SCHEMBL19332006 0.81 HDAC3 (0.47) EGFRMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL19332007 0.81 HDAC3 (0.47) EGFRMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL25222060 0.80 EGFR (0.90) EGFRKMT2APOLBMEN1LMNA
Hydrochloric Acid SCHEMBL11408619 0.79 RAD51 (0.55) EGFRKMT2AMEN1LMNAALDH1A1
SCHEMBL10623831 0.79 RELA (0.83) KMT2APOLBLMNACYP1A2TDP1
SCHEMBL10623834 0.79 RELA (0.83) KMT2APOLBLMNACYP1A2TDP1
SCHEMBL10576308 0.78 MAPT (0.86) KMT2APOLBMEN1LMNACYP1A2

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
EP-2396338-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-03-26 EP claimed
EP-2396338-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-03-26 EP disclosed
US-8394774-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2013-03-12 US disclosed
US-20100204165-A1 Pesticidal Compositions DOW AGROSCIENCES LLC (US) 2010-08-12 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-20100204165-A1 Pesticidal Compositions ACHE, DDT, PTMS EGFR 4854/4885KMT2A 1970/4885POLB 4172/4885

“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.