SCHEMBL2812903

SCHEMBL2812903

COc1cccc(OC=C(C)C(=O)Nc2ccc(C)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.56
RAB9A P51151 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
TP53 P04637 3/20 0.56
TSHR P16473 2/20 0.56
KDM4E B2RXH2 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
MTNR1B P49286 9/20 0.51
MTNR1A P48039 6/20 0.51
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
PGR P06401 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
SCHEMBL2812901 1.00 NPC1 (0.56) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL2811950 0.90 NPC1 (0.55) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL2810955 0.90 NPC1 (0.46) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL2810961 0.90 NPC1 (0.46) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL2811952 0.90 NPC1 (0.55) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL2808853 0.89 NPC1 (0.49) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL2808858 0.89 NPC1 (0.49) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL2813283 0.87 NPC1 (0.56) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL2813279 0.87 NPC1 (0.56) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL2810887 0.87 NPC1 (0.56) NPC1RAB9ASMN1; SMN2TP53MAPT

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
US-8278473-B2 Alpha, beta-unsaturated imidate compound and pesticidal composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-02 US disclosed
US-20100240729-A1 ALPHA, BETA-UNSATURATED IMIDATE COMPOUND AND PESTICIDAL COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-23 US disclosed
WO-2009064031-A1 ALPHA, BETA-UNSATURATED IMIDATE COMPOUND AND PESTICIDAL COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-22 WO 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-20100240729-A1 ALPHA, BETA-UNSATURATED IMIDATE COMPOUND AND PESTICIDAL COMPOSITION CONTAINING THE SAME OXER1, CBR1, DEGS1 NPC1 3668/4885RAB9A 1842/4885SMN1; SMN2 1135/4885

“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.