SCHEMBL16004662

SCHEMBL16004662

O=CCCC=CCCCCCC1OCCCO1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.37
TRPV1 Q8NER1 1/20 0.37
ENPP2 Q13822 11/20 0.35
LPAR2 Q9HBW0 8/20 0.35

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
SCHEMBL16004661 1.00 FAAH (0.37) FAAHTRPV1ENPP2LPAR2
SCHEMBL29992122 0.82 ENPP2 (0.34) ENPP2LPAR2
SCHEMBL16768948 0.81 HIF1A (0.38)
SCHEMBL22044036 0.79 HIF1A (0.39) FAAHTRPV1
SCHEMBL29992683 0.79 ENPP2 (0.36) ENPP2LPAR2
SCHEMBL11288268 0.77
SCHEMBL7877477 0.77
SCHEMBL29992537 0.75 ENPP2 (0.36) ENPP2LPAR2
SCHEMBL3535726 0.73 HIF1A (0.41)
SCHEMBL4393734 0.73

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140275656-A1 (Z,Z,E)-1-CHLORO-6,10,12-PENTADECATRIENE AND METHOD FOR PREPARING (Z,Z,E)-7,11,13-HEXADECATRIENAL BY USING SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-09-18 US disclosed
US-8829255-B1 (Z,Z,E)-1-chloro-6,10,12-pentadecatriene and method for preparing (Z,Z,E)-7,11,13-hexadecatrienal by using same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-09-09 US 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-20140275656-A1 (Z,Z,E)-1-CHLORO-6,10,12-PENTADECATRIENE AND METHOD FOR PREPARING (Z,Z,E)-7,11,13-HEXADECATRIENAL BY USING SAME ZDHHC7, ZDHHC9, ZDHHC2 FAAH 398/4885TRPV1 3633/4885ENPP2 157/4885

“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.