SCHEMBL964698

SCHEMBL964698

CCC(=Cc1sccc1-c1cccc2ccccc12)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.43
RORB Q92753 1/20 0.43
PPARG P37231 5/20 0.37
PPARA Q07869 5/20 0.37
MCL1 Q07820 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 3/20 0.36
CYP1A2 P05177 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
MAPT P10636 1/20 0.35
CASP1 P29466 1/20 0.34
PPARD Q03181 1/20 0.34
ALOX5 P09917 1/20 0.34
BACE1 P56817 1/20 0.34
FDPS P14324 1/20 0.34

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
SCHEMBL964697 1.00 RORC (0.43) RORCRORBPPARGPPARAMCL1
SCHEMBL964705 0.75 RORC (0.47) RORCRORBMCL1ACMSDKDM4E
SCHEMBL964704 0.75 RORC (0.47) RORCRORBMCL1ACMSDKDM4E
SCHEMBL7971777 0.74 KDM4E (0.55) KDM4EALDH1A1HPGDMAPT
SCHEMBL3817101 0.74 KDM4E (0.55) KDM4EALDH1A1HPGDMAPT
SCHEMBL3817099 0.74 KDM4E (0.55) KDM4EALDH1A1HPGDMAPT
SCHEMBL967386 0.73 RORC (0.47) RORCRORBMCL1ACMSDCYP1A2
SCHEMBL964695 0.73 TTR (0.43) RORCRORBKDM4EALDH1A1HPGD
SCHEMBL28910605 0.69 RORC (0.63) RORCRORBMCL1ACMSDKDM4E
SCHEMBL28361280 0.68 RORC (0.62) RORCRORBPPARGCYP2C9CYP2C19

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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG RORC 33/4885RORB 27/4885PPARG 3/4885

“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.