SCHEMBL2812461

SCHEMBL2812461

CC(=COc1ccccc1)C(=O)Nc1ccc(C(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.54
NPC1 O15118 4/20 0.54
EGFR P00533 1/20 0.49
PTPN1 P18031 1/20 0.48
PTPN6 P29350 1/20 0.48
PTPN11 Q06124 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
EPHX1 P07099 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL2812456 1.00 RAB9A (0.54) RAB9ANPC1EGFRPTPN1PTPN6
SCHEMBL2813285 0.95 RAB9A (0.48) RAB9ANPC1EGFRPTPN1PTPN6
SCHEMBL2813282 0.95 RAB9A (0.48) RAB9ANPC1EGFRPTPN1PTPN6
SCHEMBL2811479 0.87 NAPRT (0.48) RAB9ANPC1MEN1KMT2AEPHX1
SCHEMBL2811474 0.87 NAPRT (0.48) RAB9ANPC1MEN1KMT2AEPHX1
SCHEMBL2811777 0.86 CYP19A1 (0.49) RAB9ANPC1EGFRMEN1KMT2A
SCHEMBL2811781 0.86 CYP19A1 (0.49) RAB9ANPC1EGFRMEN1KMT2A
SCHEMBL2807379 0.85 ALDH1A1 (0.50) RAB9ANPC1EGFRMEN1KMT2A
SCHEMBL2807384 0.85 ALDH1A1 (0.50) RAB9ANPC1EGFRMEN1KMT2A
SCHEMBL2808956 0.83 MAPT (0.49) RAB9ANPC1EGFRMEN1KMT2A

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 RAB9A 1842/4885NPC1 3668/4885EGFR 2286/4885

“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.