SCHEMBL4560540

SCHEMBL4560540

C=CC(O)(C(=O)OC)c1ccccc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.41
KCNN4 O15554 1/20 0.41
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 3/20 0.38
ALOX15 P16050 1/20 0.38
CDC25B P30305 3/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 3/20 0.37
TAS2R14 Q9NYV8 1/20 0.37
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
AKR1B10 O60218 1/20 0.36
AKR1B1 P15121 1/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C1 Q04828 1/20 0.36
CDC25A P30304 1/20 0.36
ESR1 P03372 1/20 0.36

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
SCHEMBL13765616 0.79 KCNN4 (0.56) SRCKCNN4ALDH1A1HTTKMT2A
SCHEMBL13765701 0.79 KCNN4 (0.56) SRCKCNN4ALDH1A1HTTKMT2A
SCHEMBL30001109 0.74 KCNN4 (0.46) SRCKCNN4HSD17B10KDM4EHPGD
SCHEMBL7076992 0.72 ALDH1A1 (0.48) HSD17B10KDM4EHPGDALDH1A1ALOX15
SCHEMBL2148322 0.70 ALDH1A1 (0.46) HSD17B10KDM4EHPGDALDH1A1ALOX15
SCHEMBL27642263 0.70 ALDH1A1 (0.50) HSD17B10KDM4EHPGDALDH1A1ALOX15
Acrylic Acid SCHEMBL27869579 0.69 ALDH1A1 (0.45) KDM4EHPGDALDH1A1ALOX15CDC25B
SCHEMBL9120488 0.69 ALDH1A1 (0.54) HSD17B10KDM4EHPGDALDH1A1ALOX15
SCHEMBL29699699 0.69 ALDH1A1 (0.54) HSD17B10KDM4EHPGDALDH1A1ALOX15
SCHEMBL4850365 0.69 ALDH1A1 (0.54) HSD17B10KDM4EHPGDALDH1A1ALOX15

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-20090062297-A1 Hydroxyalkylarylamide Derivatives MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
EP-1973405-A2 HYDROXYALKYLARYLAMIDE DERIVATIVES Merck & Co., Inc. (US) 2008-10-01 EP disclosed
WO-2007087130-A2 HYDROXYALKYLARYLAMIDE DERIVATIVES MERCK & CO., INC. (US) 2007-08-02 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-20090062297-A1 Hydroxyalkylarylamide Derivatives AADAC, HDAC5, HDAC3 SRC 1845/4885KCNN4 3370/4885HSD17B10 528/4885

“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.