SCHEMBL1133152

SCHEMBL1133152

Cc1cccc(C)c1-c1coc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
MAOB P27338 5/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP2A6 P11509 2/20 0.39
CYP1A2 P05177 1/20 0.39
CA2 P00918 1/20 0.39
GSK3B P49841 2/20 0.38
CDK2 P24941 1/20 0.38
MAOA P21397 2/20 0.38
MYC P01106 1/20 0.38
MIF P14174 1/20 0.37
CHRNB2 P17787 1/20 0.37

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
SCHEMBL24428627 0.79 ALDH1A1 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2490828 0.79 CHRM2 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12183 0.74 MAOB (0.44) MAOBCYP1A2CA2MAOACHRNB2
SCHEMBL13268057 0.74 KDM4E (0.68) MAOBALDH1A1KDM4EUSP2HPGD
SCHEMBL8338813 0.73 PIN1 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL19146915 0.73 KCNA3 (0.48) MAOBHPGDGSK3BMIFPOLB
SCHEMBL11548879 0.73 MIF (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
Benzene SCHEMBL28592905 0.73 MAOB (0.46) MAOBCYP1A2CA2MAOACHRNB2
SCHEMBL19997790 0.72 ALDH1A1 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL30228452 0.72 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDHSD17B10CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2287141-B1 METHOD FOR PRODUCING UNSATURATED ORGANIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2015-10-21 EP disclosed
US-8237002-B2 Method for producing unsaturated organic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-07 US disclosed
US-20110046380-A1 METHOD FOR PRODUCING UNSATURATED ORGANIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-24 US disclosed
EP-2287141-A1 METHOD FOR PRODUCING UNSATURATED ORGANIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2011-02-23 EP 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-20110046380-A1 METHOD FOR PRODUCING UNSATURATED ORGANIC COMPOUND NIT2, NOS1, CHRM1 CHRM2 25/4885CHRM4 446/4885CHRM5 622/4885

“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.