SCHEMBL12814501

SCHEMBL12814501

CCCCC1=C(C(c2ccccc2)c2ccccc2)CC=C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.39
OPRL1 P41146 2/20 0.34
SIGMAR1 Q99720 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
POLB P06746 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
CYP19A1 P11511 3/20 0.32
HRH1 P35367 3/20 0.32
LMNA P02545 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL12814411 0.90 HTR2A (0.34) HTR2AOPRL1SIGMAR1OPRM1OPRD1
SCHEMBL12814845 0.86 CYP19A1 (0.36) HTR2AALDH1A1MAPTCYP19A1
SCHEMBL12814593 0.83 HTR2A (0.35) HTR2ASIGMAR1OPRM1POLBALDH1A1
SCHEMBL16458458 0.81 NOS2 (0.31)
SCHEMBL28338388 0.76 HTR2A (0.35) HTR2AOPRL1SIGMAR1OPRM1OPRD1
SCHEMBL12814808 0.76 GAA (0.35) OPRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL12815387 0.75 CALM1 (0.38) HTR2ASIGMAR1OPRM1OPRK1HRH1
Hydrochloric Acid SCHEMBL8337693 0.75
Hydrochloric Acid SCHEMBL8571943 0.75
Hydrochloric Acid SCHEMBL8571949 0.75

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 HTR2A 3806/4885OPRL1 4521/4885SIGMAR1 4141/4885

“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.