SCHEMBL12814604

SCHEMBL12814604

CC1=C(C)C(C)=C(C(c2ccccc2)(c2ccccc2)C(C)(C)C)C1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.33
CYP2B6 P20813 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TAAR1 Q96RJ0 1/20 0.31
ALOX15 P16050 1/20 0.31
ESR1 P03372 3/20 0.31
ESR2 Q92731 3/20 0.31
CYP3A4 P08684 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
Hydrochloric Acid SCHEMBL16457954 0.83 ESR1 (0.31) ALDH1A1ESR1ESR2CYP3A4
Hydrochloric Acid SCHEMBL16457872 0.83 ESR1 (0.31) ALDH1A1ESR1ESR2CYP3A4
SCHEMBL16459308 0.81 ESR1 (0.41) MAPK1CYP2B6ALDH1A1TAAR1ALOX15
Hydrochloric Acid SCHEMBL16458952 0.81 MAPK1 (0.31) MAPK1
SCHEMBL12815090 0.79 KCNN4 (0.36) MAPK1CYP2B6ALDH1A1TAAR1ALOX15
SCHEMBL12814658 0.73 MAPK1 (0.32) MAPK1CYP2B6ALDH1A1TAAR1ALOX15
SCHEMBL12814805 0.73 MAPK1 (0.32) MAPK1CYP2B6ALDH1A1TAAR1ALOX15
SCHEMBL8216938 0.72 MAPK1 (0.50) MAPK1CYP2B6ALDH1A1TAAR1ALOX15
Hydrochloric Acid SCHEMBL16459391 0.69
SCHEMBL12814623 0.69 MAPK1 (0.32) MAPK1CYP2B6ALDH1A1TAAR1ALOX15

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 MAPK1 400/4885CYP2B6 150/4885ALDH1A1 524/4885

“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.