SCHEMBL12814992

SCHEMBL12814992

CC1=CCC(C(C)(c2ccccc2)c2ccccc2)=C1C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
CYP2B6 P20813 1/20 0.36
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
KCNN4 O15554 2/20 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
SCHEMBL12814413 0.82 KCNN4 (0.34) MAPK1ALDH1A1KCNN4
SCHEMBL12814658 0.81 MAPK1 (0.32) CYP2B6MAPK1ALDH1A1TAAR1ALOX15
Hydrochloric Acid SCHEMBL16457764 0.80 ESR1 (0.40) ESR1ESR2CYP2B6MAPK1ALDH1A1
Hydrochloric Acid SCHEMBL16458099 0.80 ESR1 (0.36) ESR1ESR2CYP2B6MAPK1
Hydrochloric Acid SCHEMBL4978876 0.78
SCHEMBL16459308 0.71 ESR1 (0.41) ESR1ESR2CYP2B6MAPK1ALDH1A1
SCHEMBL12814833 0.69 ESR1 (0.39) ESR1ESR2CYP2B6MAPK1ALDH1A1
SCHEMBL8335012 0.68 ESR1 (0.70) ESR1ESR2CYP2B6MAPK1ALDH1A1
SCHEMBL430941 0.68 ESR1 (0.70) ESR1ESR2CYP2B6MAPK1ALDH1A1
Hydrochloric Acid SCHEMBL16458789 0.68 ESR1 (0.39) ESR1ESR2CYP2B6MAPK1ALDH1A1

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 641/4885CYP2B6 150/4885

“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.