SCHEMBL13913065

SCHEMBL13913065

CC1(C(=O)O)Cc2cc(Br)ccc2O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.43
AKR1B1 P15121 1/20 0.39
SRD5A1 P18405 1/20 0.36
SRD5A2 P31213 1/20 0.36
PBRM1 Q86U86 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
HIF1A Q16665 1/20 0.34
FAAH O00519 1/20 0.34
RXRA P19793 1/20 0.33
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
BRD4 O60885 1/20 0.33
PPARG P37231 2/20 0.32
AHR P35869 1/20 0.32

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
SCHEMBL13913200 0.88 AKR1B1 (0.39) PPARAAKR1B1KDM4EGLAPOLB
SCHEMBL22798929 0.85 PPARA (0.44) PPARASRD5A1SRD5A2RXRAPPARG
SCHEMBL23618118 0.83 PPARA (0.47) PPARAKDM4EPOLBL3MBTL1LMNA
SCHEMBL5098770 0.83 PPARA (0.44) PPARAAKR1B1KDM4EPOLBL3MBTL1
SCHEMBL29495503 0.81 PPARA (0.48) PPARAAKR1B1SRD5A1SRD5A2LMNA
SCHEMBL19469461 0.81 PPARA (0.48) PPARAAKR1B1SRD5A1SRD5A2LMNA
SCHEMBL19469463 0.81 PPARA (0.48) PPARAAKR1B1SRD5A1SRD5A2LMNA
SCHEMBL29495290 0.81 PPARA (0.48) PPARAAKR1B1SRD5A1SRD5A2LMNA
SCHEMBL19469478 0.81 PPARA (0.48) PPARAAKR1B1SRD5A1SRD5A2LMNA
SCHEMBL4769228 0.80 ALDH1A1 (0.39) PPARAKDM4EGLAPOLBLMNA

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-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS CANO IVAN COLLADO 2009-03-05 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-20090062358-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS PPARG, PPARA, PPARD PPARA 2/4885AKR1B1 342/4885SRD5A1 639/4885

“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.