SCHEMBL17879415

SCHEMBL17879415

C#CCCCSCCC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ACHE P22303 1/20 0.34
CES2 O00748 1/20 0.34
TSHR P16473 2/20 0.32
CYP3A4 P08684 2/20 0.32
ALOX5 P09917 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
MEN1 O00255 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
SCHEMBL17879416 0.92 MAPT (0.47) HSD17B10MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL17879418 0.84 CYP1A2 (0.40) HSD17B10MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL17879419 0.82 HSD17B10 (0.58) HSD17B10MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL23531362 0.80 ALDH1A1 (0.47) HSD17B10MAPTCYP2C9ALDH1A1HPGD
SCHEMBL1415148 0.78
SCHEMBL3504701 0.78 ALDH1A1 (0.56) HSD17B10MAPTALDH1A1HPGDKMT2A
SCHEMBL11537012 0.78 CYP1A2 (0.35) HSD17B10MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL8661229 0.76
SCHEMBL14450308 0.76 HSD17B10 (0.61) HSD17B10MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL23531305 0.75 ALDH1A1 (0.53) HSD17B10MAPTALDH1A1HPGDKMT2A

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 HSD17B10 73/4885MAPT 4417/4885CYP1A2 752/4885

“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.