SCHEMBL4200404

SCHEMBL4200404

CC(C)(C)OC(=O)c1ccc(SCC(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
FFAR1 O14842 2/20 0.50
GAA P10253 1/20 0.47
CTSB P07858 1/20 0.46
ELANE P08246 1/20 0.46
DUSP3 P51452 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
RAB9A P51151 2/20 0.43
HSD17B10 Q99714 2/20 0.43
APEX1 P27695 1/20 0.41
RHEB Q15382 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
GRK6 P43250 1/20 0.39
SLC7A5 Q01650 1/20 0.39

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
SCHEMBL4200358 0.84 MAPT (0.49) ALDH1A1GAACA12CA1CA2
SCHEMBL4220666 0.81 RAB9A (0.61) ALDH1A1FFAR1GAACTSBELANE
SCHEMBL557940 0.80 ALDH1A1 (0.49) ALDH1A1CA12CA1CA2CA9
SCHEMBL557689 0.80 ALDH1A1 (0.49) ALDH1A1CA12CA1CA2CA9
SCHEMBL11255265 0.79 CA12 (0.43) ALDH1A1ELANECA12CA1CA2
SCHEMBL109451 0.78 CA1 (0.61) ALDH1A1ELANECA12CA1CA2
SCHEMBL1686957 0.78 DGAT1 (0.47) ALDH1A1GAARAB9ASMN1; SMN2TSHR
SCHEMBL3901459 0.77 NPC1 (0.42) ALDH1A1FFAR1GAACA1CA2
SCHEMBL5284350 0.77 GAA (0.63) ALDH1A1FFAR1GAACTSBELANE
SCHEMBL4213140 0.77 APEX1 (0.40) CA12CA1CA2CA9CA14

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-20090023733-A1 Piperidine Derivatives, Their Process for Preparation, Their Use as Therapeutic Agents and Pharmaceutical Compositions Containing Them ASTRAZENECA AB (SE) 2009-01-22 US disclosed
EP-1994002-A1 PIPERIDINE DERIVATIVES, THEIR PROCESS FOR PREPARATION, THEIR USE AS THERAPEUTIC AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AstraZeneca AB (SE) 2008-11-26 EP disclosed
WO-2007102767-A1 PIPERIDINE DERIVATIVES, THEIR PROCESS FOR PREPARATION, THEIR USE AS THERAPEUTIC AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2007-09-13 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-20090023733-A1 Piperidine Derivatives, Their Process for Preparation, Their Use as Therapeutic Agents and Pharmaceutical Compositions Containing Them CCR3, CCR1, CCR5 ALDH1A1 830/4885FFAR1 1500/4885GAA 3845/4885

“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.