SCHEMBL12814980

SCHEMBL12814980

Cc1ccc(CC2=CC=CC2)cc1C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
NQO1 P15559 2/20 0.35
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ALKBH5 Q6P6C2 1/20 0.30
FTO Q9C0B1 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
SCHEMBL11554501 0.82 ALDH1A1 (0.32) ESR1ESR2ALDH1A1
SCHEMBL12814559 0.81
SCHEMBL12815569 0.79 IDO1 (0.38) LMNAHTTALDH1A1
SCHEMBL1115967 0.77 IDO1 (0.37) LMNAHTTALDH1A1
SCHEMBL12814982 0.76 DAO (0.44)
SCHEMBL31371688 0.75 ESR1 (0.61) ESR1ESR2NQO1ADORA2AADORA1
SCHEMBL311076 0.75 ESR1 (0.61) ESR1ESR2NQO1ADORA2AADORA1
SCHEMBL30876036 0.75 ESR1 (0.61) ESR1ESR2NQO1ADORA2AADORA1
SCHEMBL12815819 0.75 IDH1 (0.34)
SCHEMBL11560362 0.74 SNCA (0.34)

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 ESR1 452/4885ESR2 641/4885NQO1 2651/4885

“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.