SCHEMBL12814844

SCHEMBL12814844

C1=CC(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.35
HTR6 P50406 1/20 0.35
SIGMAR1 Q99720 6/20 0.33
ATM Q13315 1/20 0.31
TSHR P16473 2/20 0.30
KCNN4 O15554 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL1539718 0.84 HTR2A (0.35) HTR2AHTR6SIGMAR1ATMTSHR
SCHEMBL12814909 0.81 KIF11 (0.35) HTR2ATSHR
SCHEMBL12815944 0.81 SIGMAR1 (0.34) HTR2AHTR6SIGMAR1ALDH1A1
SCHEMBL4652627 0.81 SIGMAR1 (0.34) HTR2AHTR6SIGMAR1
SCHEMBL8142258 0.81 SIGMAR1 (0.34) HTR2AHTR6SIGMAR1ALDH1A1
SCHEMBL16458904 0.80 TACR1 (0.36) HTR2AHTR6
SCHEMBL9143401 0.79 SIGMAR1 (0.33) HTR2AHTR6SIGMAR1
SCHEMBL9144977 0.79 SIGMAR1 (0.33) HTR2AHTR6SIGMAR1
SCHEMBL8372660 0.79 HTR6 (0.33) HTR2AHTR6SIGMAR1
SCHEMBL136884 0.79 HTR2A (0.40) HTR2AHTR6SIGMAR1

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 3806/4885HTR6 3520/4885SIGMAR1 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.