SCHEMBL2816116

SCHEMBL2816116

COc1ccccc1OC=C(C)C(=Nc1ccccc1)Sc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 6/20 0.37
NOS1 P29475 6/20 0.37
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
PRSS1 P07477 1/20 0.34
ACR P10323 1/20 0.34
QRFPR Q96P65 2/20 0.34
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NOS2 P35228 4/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GRIN2D O15399 2/20 0.31
GRIN3B O60391 2/20 0.31

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
SCHEMBL12851012 1.00 NOS3 (0.37) NOS3NOS1CA12CA1CA2
SCHEMBL2816113 1.00 NOS3 (0.37) NOS3NOS1CA12CA1CA2
SCHEMBL2813258 0.93 MAPT (0.41) NOS3NOS1CA12CA1CA2
SCHEMBL2813255 0.93 MAPT (0.41) NOS3NOS1CA12CA1CA2
SCHEMBL2815813 0.93 NOS3 (0.42) NOS3NOS1PRSS1ACRQRFPR
SCHEMBL2815816 0.93 NOS3 (0.42) NOS3NOS1PRSS1ACRQRFPR
SCHEMBL12851014 0.90 HTR3E (0.33) NOS3NOS1QRFPRMAPTHPGD
SCHEMBL2810734 0.90 HTR3E (0.33) NOS3NOS1QRFPRMAPTHPGD
SCHEMBL2810735 0.90 HTR3E (0.33) NOS3NOS1QRFPRMAPTHPGD
SCHEMBL2811338 0.87 QRFPR (0.36) PRSS1ACRQRFPRMAPTHPGD

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 NOS3 110/4885NOS1 137/4885CA12 3493/4885

“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.