SCHEMBL95614

SCHEMBL95614

CCCOC(C)COCCOCC(C)OCCC

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.61
HSD17B10 Q99714 1/20 0.48
USP2 O75604 1/20 0.34
HTT P42858 1/20 0.33
SPHK1 Q9NYA1 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
SCHEMBL12762780 0.95 TDP1 (0.63) TDP1HSD17B10USP2HTT
SCHEMBL135405 0.95 TDP1 (0.68) TDP1HSD17B10USP2HTTSPHK1
Ammonia Solution, Strong SCHEMBL29094792 0.92 TDP1 (0.65) TDP1HSD17B10USP2HTT
SCHEMBL26241019 0.91 TDP1 (0.53) TDP1HSD17B10USP2
SCHEMBL1478603 0.91 TDP1 (0.64) TDP1HSD17B10USP2
SCHEMBL1478045 0.90 TDP1 (0.69) TDP1HSD17B10USP2HTT
SCHEMBL4595090 0.90 TDP1 (0.63) TDP1HSD17B10USP2HTT
SCHEMBL437182 0.90 TDP1 (0.69) TDP1HSD17B10USP2HTT
SCHEMBL28728852 0.90 TDP1 (0.69) TDP1HSD17B10USP2HTT
SCHEMBL27954020 0.90 TDP1 (0.69) TDP1HSD17B10USP2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170008922-A1 BRANCHED CHAIN-CONTAINING AROMATIC COMPOUND AJINOMOTO CO., INC. (JP) 2017-01-12 US disclosed
US-20170008922-A1 BRANCHED CHAIN-CONTAINING AROMATIC COMPOUND AJINOMOTO CO., INC. (JP) 2017-01-12 US disclosed
US-9499579-B2 Branched chain-containing aromatic compound AJINOMOTO CO., INC. (JP) 2016-11-22 US disclosed
US-8546534-B2 Branched chain-containing aromatic compound AJINOMOTO CO., INC. (JP) 2013-10-01 US disclosed
US-20120059149-A1 BRANCHED CHAIN-CONTAINING AROMATIC COMPOUND AJINOMOTO CO. INC. (JP) 2012-03-08 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 (2 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-20120059149-A1 BRANCHED CHAIN-CONTAINING AROMATIC COMPOUND VIP, BCAT2, IAPP TDP1 4323/4885HSD17B10 420/4885USP2 3271/4885
US-20170008922-A1 BRANCHED CHAIN-CONTAINING AROMATIC COMPOUND VIP, IAPP, BCAT1 TDP1 4224/4885HSD17B10 664/4885USP2 3372/4885

“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.