SCHEMBL4095879

SCHEMBL4095879

CC(C)Oc1ccc(-n2c(C(=O)O)c(Cl)c3cc(Oc4cccc(Cl)c4)ncc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.43
HRH3 Q9Y5N1 1/20 0.42
BCL2 P10415 1/20 0.38
MDM2 Q00987 1/20 0.38
MCL1 Q07820 1/20 0.38
USP2 O75604 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
TSHR P16473 2/20 0.37
CYP2C19 P33261 2/20 0.37
PPARA Q07869 1/20 0.37
CYP2C9 P11712 1/20 0.37
PTGER4 P35408 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
SCHEMBL4090165 0.83 PPARG (0.42) PPARGHRH3BCL2MDM2MCL1
SCHEMBL4095050 0.83 PTGES (0.48) PPARGHRH3BCL2MDM2MCL1
SCHEMBL333839 0.79 PPARG (0.47) PPARGBCL2MDM2MCL1PPARA
SCHEMBL4916822 0.79 PPARG (0.47) PPARGPPARA
SCHEMBL4924264 0.77 PTGES (0.52) PPARG
SCHEMBL4914574 0.76 PPARG (0.47) PPARGPPARA
SCHEMBL3580289 0.76 PTGES (0.43) BCL2MDM2MCL1
SCHEMBL4094387 0.75 PTGES (0.47) PPARGHRH3BCL2MDM2MCL1
SCHEMBL333958 0.74 KDM4E (0.42) PPARGCYP1A2CYP3A4TSHRCYP2C19
SCHEMBL4096505 0.73 PTGES (0.44) PPARGBCL2MDM2MCL1CYP1A2

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-20090048285-A1 Pyrrolopyridines Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-02-19 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-20090048285-A1 Pyrrolopyridines Useful in the Treatment of Inflammation PYCR1, ARG2, ARG1 PPARG 1316/4885HRH3 833/4885BCL2 802/4885

“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.