SCHEMBL2811952

SCHEMBL2811952

COc1cccc(OC=C(C)C(=O)Nc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.55
RAB9A P51151 5/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NLRP3 Q96P20 1/20 0.51
MTNR1A P48039 2/20 0.50
MTNR1B P49286 2/20 0.50
PGR P06401 1/20 0.49
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
TSHR P16473 2/20 0.49
KCNK3 O14649 1/20 0.49
KCNK9 Q9NPC2 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
TP53 P04637 1/20 0.49

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
SCHEMBL2811950 1.00 NPC1 (0.55) NPC1RAB9ASMN1; SMN2NLRP3MTNR1A
SCHEMBL2812903 0.90 NPC1 (0.56) NPC1RAB9ASMN1; SMN2MTNR1AMTNR1B
SCHEMBL2812901 0.90 NPC1 (0.56) NPC1RAB9ASMN1; SMN2MTNR1AMTNR1B
SCHEMBL2810919 0.87 SMN1; SMN2 (0.55) NPC1RAB9ASMN1; SMN2MMP1MMP2
SCHEMBL2810917 0.87 SMN1; SMN2 (0.55) NPC1RAB9ASMN1; SMN2MMP1MMP2
SCHEMBL2811479 0.87 NAPRT (0.48) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2811474 0.87 NAPRT (0.48) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2811168 0.86 HTT (0.50) NPC1RAB9ASMN1; SMN2MMP1MMP2
SCHEMBL2811164 0.86 HTT (0.50) NPC1RAB9ASMN1; SMN2MMP1MMP2
SCHEMBL2809949 0.86 RAB9A (0.54) NPC1RAB9ASMN1; SMN2NLRP3MMP1

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.