SCHEMBL16623989

SCHEMBL16623989

COCc1ccccc1OC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.50
KDM4E B2RXH2 3/20 0.50
HSD17B10 Q99714 3/20 0.50
HPGD P15428 2/20 0.50
ALDH1A1 P00352 1/20 0.50
ESR1 P03372 1/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
HMGB1 P09429 1/20 0.50
TSHR P16473 1/20 0.50
GGT1 P19440 1/20 0.50
PTGS1 P23219 1/20 0.50
BLM P54132 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PTPN1 P18031 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 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
SCHEMBL6665890 0.87 PTGS2 (0.52) PTGS2KDM4EHSD17B10HPGDALDH1A1
SCHEMBL2797501 0.85 ALDH1A1 (0.53) PTGS2KDM4EHSD17B10HPGDALDH1A1
SCHEMBL9263634 0.84 PTGS2 (0.49) PTGS2KDM4EHSD17B10HPGDALDH1A1
SCHEMBL30850062 0.82 PTGS2 (0.55) PTGS2KDM4EHSD17B10HPGDALDH1A1
SCHEMBL11589528 0.82 PTGS2 (0.55) PTGS2KDM4EHSD17B10HPGDALDH1A1
SCHEMBL68677 0.82 PTGS2 (0.55) PTGS2KDM4EHSD17B10HPGDALDH1A1
SCHEMBL3628841 0.81 PTGS2 (0.53) PTGS2KDM4EHSD17B10HPGDALDH1A1
Benzene SCHEMBL28173619 0.81 PTGS2 (0.58) PTGS2KDM4EHSD17B10HPGDALDH1A1
SCHEMBL10924111 0.81 PTGS2 (0.53) PTGS2KDM4EHSD17B10HPGDALDH1A1
SCHEMBL16245159 0.81 LMNA (0.45) PTGS2KDM4EHSD17B10HPGDALDH1A1

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-20150099723-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2015-04-09 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-20150099723-A1 FATTY ACID ACETYLATED SALICYLATES AND THEIR USES FASN, ACACA, FABP4 PTGS2 80/4885KDM4E 2493/4885HSD17B10 120/4885

“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.