SCHEMBL2813615

SCHEMBL2813615

CC/C(=C\Oc1ccc(C)cc1)C(=O)Nc1ccc(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 2/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 5/20 0.43
HTT P42858 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 2/20 0.42
THRB P10828 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NLRP1 Q9C000 1/20 0.42
TGM2 P21980 1/20 0.41

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
SCHEMBL2813620 1.00 NPC1 (0.45) NPC1RAB9AKDM4EPOLBKMT2A
SCHEMBL2811864 0.95 NPC1 (0.52) NPC1RAB9AKDM4EPOLBKMT2A
SCHEMBL2811866 0.95 NPC1 (0.52) NPC1RAB9AKDM4EPOLBKMT2A
SCHEMBL2809883 0.93 NPC1 (0.49) NPC1RAB9AKDM4EPOLBKMT2A
SCHEMBL2808854 0.93 ALDH1A1 (0.44) NPC1RAB9AKMT2AMEN1HPGD
SCHEMBL2809885 0.93 NPC1 (0.49) NPC1RAB9AKDM4EPOLBKMT2A
SCHEMBL2808857 0.93 ALDH1A1 (0.44) NPC1RAB9AKMT2AMEN1HPGD
SCHEMBL2811132 0.87 POLB (0.46) NPC1RAB9AKDM4EPOLBKMT2A
SCHEMBL2811134 0.87 POLB (0.46) NPC1RAB9AKDM4EPOLBKMT2A
SCHEMBL2813929 0.84 ALDH1A1 (0.46) NPC1RAB9AKMT2AHPGDMAPT

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 1842/4885KDM4E 3990/4885

“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.