SCHEMBL334561

SCHEMBL334561

CC(=O)OCCc1cc(O)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.40
HSD17B10 Q99714 1/20 0.38
NOTUM Q6P988 1/20 0.38
CYP3A4 P08684 2/20 0.38
SIRT2 Q8IXJ6 1/20 0.36
AKR1B10 O60218 1/20 0.36
AKR1B1 P15121 1/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 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
SCHEMBL10499879 0.78 MAOA (0.46) SIRT2HPGDALDH1A1NPC1MAPT
SCHEMBL28763709 0.78 RAD52 (0.40) SERPINE1
SCHEMBL27821033 0.77 ALOX5 (0.42) SERPINE1NOTUMCYP3A4AKR1B10AKR1B1
SCHEMBL27684522 0.77 RAD52 (0.39) SERPINE1NOTUMCYP3A4SIRT2AKR1B10
SCHEMBL27821092 0.77 MAOB (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL27742545 0.76 TYR (0.41) SERPINE1HSD17B10CYP3A4AKR1B10AKR1B1
SCHEMBL27949329 0.75 HPGD (0.50) SIRT2USP2HPGDALDH1A1
SCHEMBL3740782 0.75 CYP4F2 (0.51) HSD17B10HPGDALDH1A1
SCHEMBL27652695 0.75 MEP1B (0.45) NOTUMSIRT2USP2HPGDALDH1A1
SCHEMBL27585879 0.74 MEN1 (0.50) HSD17B10CYP3A4SIRT2AKR1B1USP2

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-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
CN-101952244-A PGD 2The N of acceptor, N-disubstituted amido alkyl biphenyl antagonist AMIRA PHARMACEUTICALS INC 2011-01-19 CN disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 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-20090286974-A1 Derivative having ppar agonistic activity PPARD, PPARA, PPARG SERPINE1 4568/4885HSD17B10 278/4885NOTUM 643/4885

“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.