SCHEMBL4992971

SCHEMBL4992971

CC(C)c1cccc(-c2ccccc2Cn2cccc(C(=O)O)c2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 1/20 0.48
PPARG P37231 7/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
BRD4 O60885 2/20 0.40
BRD2 P25440 1/20 0.40
BRD3 Q15059 1/20 0.40
BRDT Q58F21 1/20 0.40
MCL1 Q07820 4/20 0.40
BAD Q92934 4/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL4996274 0.88 PTGER3 (0.43) PTGER3PPARGBRD4BRD2BRD3
SCHEMBL4994979 0.87 LMNA (0.46) PTGER3PPARGMAPTTHRBLMNA
SCHEMBL4986527 0.85 BRD4 (0.47) BRD4BRD2BRD3BRDTMCL1
SCHEMBL4994721 0.82 CYP1A2 (0.44) BRD4BRD2BRD3BRDTMCL1
SCHEMBL4996102 0.81 BRD4 (0.44) PTGER3BRD4BRD2BRD3BRDT
SCHEMBL4997127 0.80 BRD4 (0.52) BRD4BRD2BRD3BRDTMAPT
SCHEMBL4986221 0.78 LIPG (0.49) BRD4BRD2BRD3BRDTMAPT
SCHEMBL4993505 0.78 BRD4 (0.48) PTGER3BRD4BRD2BRD3BRDT
SCHEMBL5151189 0.77 RXRA (0.58) RXRARXRBRXRGMAPTLMNA
SCHEMBL4553891 0.75 MCL1 (0.49) BRD4BRD2BRD3BRDTMCL1

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-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 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-20080188528-A1 Modulators of C3a receptor and methods of use thereof C3AR1, C5, C5AR1 PTGER3 80/4885PPARG 2064/4885RXRA 395/4885

“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.