SCHEMBL12815944

SCHEMBL12815944

CC(c1ccccc1)(c1ccccc1)C1C=Cc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.34
HTR2A P28223 2/20 0.33
HTR6 P50406 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 2/20 0.31
TAAR1 Q96RJ0 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP3A4 P08684 2/20 0.31
KDM4E B2RXH2 2/20 0.31
BRD4 O60885 1/20 0.31
CCL2 P13500 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CHRM2 P08172 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
NFKB1 P19838 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
SCHEMBL8142258 0.85 SIGMAR1 (0.34) SIGMAR1HTR2AHTR6MAPK1ALDH1A1
SCHEMBL8156137 0.82
SCHEMBL12816183 0.82 ALDH1A1 (0.33) SIGMAR1HTR2AHTR6MAPK1ALDH1A1
SCHEMBL1539718 0.81 HTR2A (0.35) SIGMAR1HTR2AHTR6ALDH1A1BRD4
SCHEMBL12814844 0.81 HTR2A (0.35) SIGMAR1HTR2AHTR6ALDH1A1
SCHEMBL1452608 0.80 HTR6 (0.41) SIGMAR1HTR2AHTR6CYP3A4KDM4E
SCHEMBL1030004 0.80 HTR2A (0.38) SIGMAR1HTR2AHTR6CYP3A4KDM4E
SCHEMBL9144758 0.79 HTR2A (0.36) SIGMAR1HTR2AHTR6CYP3A4KDM4E
Lithium SCHEMBL5702700 0.79 HTR6 (0.40) SIGMAR1HTR2AHTR6CYP3A4KDM4E
SCHEMBL9145153 0.79 HTR2A (0.36) SIGMAR1HTR2AHTR6CYP3A4KDM4E

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 SIGMAR1 4141/4885HTR2A 3806/4885HTR6 3520/4885

“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.