SCHEMBL17879416

SCHEMBL17879416

C#CCCCCCCCCCSCCC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
HSD17B10 Q99714 3/20 0.47
CYP2C9 P11712 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
CES2 O00748 1/20 0.40
TP53 P04637 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 2/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
BHMT Q93088 2/20 0.34
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
GMNN O75496 1/20 0.32

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
SCHEMBL17879415 0.92 HSD17B10 (0.41) MAPTHSD17B10CYP2C9CYP1A2CYP2D6
SCHEMBL17879418 0.91 CYP1A2 (0.40) MAPTHSD17B10CYP2C9CYP1A2CYP2D6
SCHEMBL16510910 0.83 HSD17B10 (0.64) MAPTHSD17B10CYP2C9CYP1A2CYP2D6
SCHEMBL14450308 0.81 HSD17B10 (0.61) MAPTHSD17B10CYP2C9CYP1A2CYP2D6
SCHEMBL16487277 0.81 MAPT (0.43) MAPTHSD17B10CYP2C9CYP1A2CYP2D6
SCHEMBL16438106 0.80 MAPT (0.64) MAPTHSD17B10CYP2C9CYP1A2CYP2D6
SCHEMBL9823545 0.80 MAPT (0.64) MAPTHSD17B10CYP2C9CYP1A2CYP2D6
SCHEMBL15144969 0.80 MAPT (0.64) MAPTHSD17B10CYP2C9CYP1A2CYP2D6
SCHEMBL8661941 0.80 MAPT (0.64) MAPTHSD17B10CYP2C9CYP1A2CYP2D6
SCHEMBL31622243 0.80 MAPT (0.64) MAPTHSD17B10CYP2C9CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160185735-A1 FATTY ACID ANALOGS AND THEIR USE UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-06-30 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-20160185735-A1 FATTY ACID ANALOGS AND THEIR USE FABP4, ELOVL1, CPT1A MAPT 4417/4885HSD17B10 73/4885CYP2C9 1414/4885

“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.