SCHEMBL12814616

SCHEMBL12814616

CCC1=CCC(C(c2ccccc2)c2ccccc2)=C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
CYP2D6 P10635 2/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
OPRM1 P35372 3/20 0.31
SLC6A3 Q01959 2/20 0.31
OPRD1 P41143 2/20 0.31
OPRK1 P41145 2/20 0.31
OPRL1 P41146 2/20 0.31
TP53 P04637 1/20 0.31
HTR2A P28223 2/20 0.31
HRH1 P35367 2/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
ADRA2A P08913 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
DRD1 P21728 1/20 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
SCHEMBL12814587 0.83 OPRL1 (0.36) OPRM1OPRD1OPRK1OPRL1HTR2A
SCHEMBL12814936 0.82 AOC3 (0.33) OPRM1OPRD1OPRK1OPRL1GAA
SCHEMBL12814742 0.81 CALM1 (0.37) CYP2D6SLC6A2SLC6A4OPRM1SLC6A3
SCHEMBL27933482 0.80 SLC6A2 (0.41) CYP2D6SLC6A2SLC6A4OPRM1SLC6A3
SCHEMBL12816039 0.75 TSHR (0.37) LMNACYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL12815183 0.73 CYP2D6 (0.34) LMNACYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL12814642 0.71 CYP3A4 (0.37) LMNACYP2D6SLC6A2SLC6A4OPRM1
SCHEMBL12815009 0.71 CYP1A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL12815411 0.70 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3ALDH1A1GAA
SCHEMBL16458362 0.70 TACR1 (0.34) LMNA

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
EP-2691357-A1 METHOD FOR PRODUCING 1-HEXENE Sumitomo Chemical Company Limited (JP) 2014-02-05 EP disclosed
US-20140012056-A1 METHOD FOR PRODUCING 1-HEXENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-09 US disclosed
WO-2012133937-A1 METHOD FOR PRODUCING 1-HEXENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 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-20140012056-A1 METHOD FOR PRODUCING 1-HEXENE AP2A1, AP1M1, ME1 LMNA 3551/4885CYP2D6 547/4885SLC6A2 4749/4885

“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.