SCHEMBL2541671

SCHEMBL2541671

CCCCCc1ccc(F)c(C=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.51
RARB P10826 3/20 0.44
HTR2A P28223 1/20 0.44
RARA P10276 1/20 0.44
RARG P13631 1/20 0.44
LPL P06858 5/20 0.42
LIPG Q9Y5X9 5/20 0.42
KAT8 Q9H7Z6 2/20 0.42
PPARA Q07869 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
MGLL Q99685 1/20 0.41
ESR1 P03372 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
TACR2 P21452 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL1219815 0.81 CDK1 (0.45) CDK1RARBHTR2ARARARARG
SCHEMBL3854721 0.80 LMNA (0.38) CDK1ALDH1A1LMNA
SCHEMBL305077 0.80 CDK1 (0.81) CDK1LPLLIPGKAT8PPARA
SCHEMBL27820858 0.80 CDK1 (0.51) CDK1SLC6A3HSD17B10TBXAS1
SCHEMBL11421416 0.79 CDK1 (0.84) CDK1LPLLIPGKAT8PPARA
SCHEMBL304650 0.79 CDK1 (0.84) CDK1LPLLIPGKAT8PPARA
SCHEMBL304974 0.79 CDK1 (0.84) CDK1LPLLIPGKAT8PPARA
SCHEMBL6882282 0.79 CDK1 (0.84) CDK1LPLLIPGKAT8PPARA
SCHEMBL9318508 0.79 CDK1 (0.84) CDK1LPLLIPGKAT8PPARA
SCHEMBL305081 0.79 CDK1 (0.84) CDK1LPLLIPGKAT8PPARA

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-8044236-B2 Inhibitors against plasminogen activator inhibitor-1 (PAI-1); anticoagulants; 2-(aryl or aralkyloxy-)-5-(aryl)phenyl}acetic acid (or derivatives of propionic acid, propenoic acid, N-oxamic acid or 1H-tetrazol-5-yl); occlusion, stenosis; low molecular weight; gene expression inhibition INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2011-10-25 US disclosed
EP-2080751-A1 CARBOXYLIC ACID DERIVATIVE Institute of Medicinal Molecular Design, Inc. (JP) 2009-07-22 EP disclosed
US-20080275116-A1 Carboxilic acid derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-11-06 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-20080275116-A1 Carboxilic acid derivatives SERPINE1, CTRL, SERPINC1 CDK1 181/4885RARB 899/4885HTR2A 3418/4885

“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.