SCHEMBL4994091

SCHEMBL4994091

CC1(C)CCC(C)(C)c2cc(Cn3cccc(C(=O)O)c3=O)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.50
RXRB P28702 2/20 0.50
RXRG P48443 2/20 0.50
BRD4 O60885 2/20 0.49
BRD2 P25440 1/20 0.49
BRD3 Q15059 1/20 0.49
BRDT Q58F21 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.45
MAPT P10636 2/20 0.45
CYP26A1 O43174 2/20 0.45
RAB9A P51151 1/20 0.45
CYP26B1 Q9NR63 1/20 0.45
KMT2A Q03164 1/20 0.45
CNR1 P21554 3/20 0.44
CNR2 P34972 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
RARA P10276 1/20 0.44
RARB P10826 1/20 0.44
RARG P13631 1/20 0.44

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
SCHEMBL4987734 0.85 MAPT (0.44) RXRARXRBRXRGBRD4BRD2
SCHEMBL1137531 0.77 BRD4 (0.70) BRD4BRD2BRD3BRDTSMN1; SMN2
SCHEMBL17477640 0.77 MAPT (0.63) BRD4BRD2BRD3BRDTSMN1; SMN2
Hydrochloric Acid SCHEMBL11454825 0.76 BRD4 (0.68) BRD4BRD2BRD3BRDTSMN1; SMN2
SCHEMBL4989458 0.75 C3AR1 (0.45) BRD4BRD2BRD3BRDTSMN1; SMN2
SCHEMBL19787909 0.75 MAPT (0.60) BRD4BRD2BRD3BRDTSMN1; SMN2
SCHEMBL4992892 0.75 BRD4 (0.68) BRD4BRD2BRD3BRDTSMN1; SMN2
SCHEMBL4431812 0.75 MAPT (0.54) BRD4BRD2BRD3BRDTMAPT
SCHEMBL3349244 0.75 EGLN1 (0.68) BRD4BRD2BRD3BRDTSMN1; SMN2
SCHEMBL4990678 0.75 BRD4 (0.59) BRD4BRD2BRD3BRDTSMN1; SMN2

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 RXRA 395/4885RXRB 604/4885RXRG 561/4885

“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.