SCHEMBL24314965

SCHEMBL24314965

CC(=O)Nc1ccc2c(C(C)C)cccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.51
HSD17B2 P37059 1/20 0.51
CMA1 P23946 2/20 0.49
GAA P10253 2/20 0.49
ALDH1A1 P00352 4/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 1/20 0.46
CASP6 P55212 1/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KLK7 P49862 1/20 0.46
FABP7 O15540 1/20 0.46
FABP3 P05413 1/20 0.46
FABP5 Q01469 1/20 0.46
MEN1 O00255 2/20 0.45
NPC1 O15118 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45

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
SCHEMBL1807568 0.83 HSD17B1 (0.55) HSD17B1HSD17B2ALDH1A1TP53CYP1A2
SCHEMBL19355161 0.80 HSD17B1 (0.55) HSD17B1HSD17B2ALDH1A1CYP1A2HSD17B10
SCHEMBL29963136 0.80 HSD17B1 (0.76) HSD17B1HSD17B2ALDH1A1CYP1A2HSD17B10
SCHEMBL11900180 0.80 CASP6 (0.68) HSD17B1HSD17B2GAAALDH1A1CYP1A2
SCHEMBL1122275 0.80 HSD17B1 (0.76) HSD17B1HSD17B2ALDH1A1CYP1A2HSD17B10
Hydrochloric Acid SCHEMBL11743666 0.78 POLB (0.52) HSD17B1HSD17B2ALDH1A1CYP1A2HSD17B10
SCHEMBL6746166 0.78 MAPT (0.62) HSD17B1HSD17B2GAAALDH1A1CYP1A2
SCHEMBL1176635 0.77 MEN1 (0.69) GAAALDH1A1CYP1A2HSD17B10POLB
SCHEMBL6138266 0.76 MAPT (0.60) HSD17B1HSD17B2GAAALDH1A1CYP1A2
SCHEMBL8784533 0.76 CASP6 (0.59) HSD17B1HSD17B2ALDH1A1CYP1A2HSD17B10

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
US-20230365488-A1 TRUXILLIC ACID MONOESTER-DERIVATIVES AS SELECTIVE FABP5 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-11-16 US disclosed
US-20230365488-A1 TRUXILLIC ACID MONOESTER-DERIVATIVES AS SELECTIVE FABP5 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-11-16 US disclosed
WO-2022076820-A1 TRUXILLIC ACID MONOESTER-DERIVATIVES AS SELECTIVE FABP5 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-04-14 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-20230365488-A1 TRUXILLIC ACID MONOESTER-DERIVATIVES AS SELECTIVE FABP5 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF FABP5, FABP1, FABP4 HSD17B1 1529/4885HSD17B2 1992/4885CMA1 4597/4885

“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.