SCHEMBL12816183

SCHEMBL12816183

CC(C)(C)C(c1ccccc1)(c1ccccc1)C1C=Cc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
SIGMAR1 Q99720 6/20 0.33
HTR6 P50406 1/20 0.32
HTR2A P28223 1/20 0.32
MAPK1 P28482 1/20 0.31
CYP2B6 P20813 1/20 0.30

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
SCHEMBL8142258 0.82 SIGMAR1 (0.34) ALDH1A1ALOX15SIGMAR1HTR6HTR2A
SCHEMBL12815944 0.82 SIGMAR1 (0.34) ALDH1A1ALOX15SIGMAR1HTR6HTR2A
SCHEMBL12814844 0.78 HTR2A (0.35) ALDH1A1SIGMAR1HTR6HTR2A
SCHEMBL1539718 0.78 HTR2A (0.35) ALDH1A1SIGMAR1HTR6HTR2A
SCHEMBL1030004 0.77 HTR2A (0.38) SIGMAR1HTR6HTR2A
SCHEMBL1452608 0.77 HTR6 (0.41) SIGMAR1HTR6HTR2A
SCHEMBL9144761 0.76 HTR2A (0.36) SIGMAR1HTR6HTR2A
Lithium SCHEMBL5702700 0.76 HTR6 (0.40) SIGMAR1HTR6HTR2A
SCHEMBL5702695 0.76 HTR6 (0.40) SIGMAR1HTR6HTR2A
SCHEMBL9144758 0.76 HTR2A (0.36) SIGMAR1HTR6HTR2A

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 ALDH1A1 524/4885ALOX15 28/4885SIGMAR1 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.