SCHEMBL4433044

SCHEMBL4433044

CC(C)c1ccccc1-c1ccccc1CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.50
GABRG2 P18507 2/20 0.50
GABRB3 P28472 2/20 0.50
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
GABRB2 P47870 2/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
BAZ2B Q9UIF8 2/20 0.41
BAZ2A Q9UIF9 2/20 0.41
BRD4 O60885 1/20 0.41
BRD9 Q9H8M2 1/20 0.41
FAAH O00519 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL357956 0.83 GABRA1 (0.58) GABRA1GABRG2GABRB3PDCD1CD274
SCHEMBL30932846 0.82 CA1 (0.43) GABRA1GABRG2GABRB3GABRB2CA1
Hydrogen Peroxide SCHEMBL9644435 0.80 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRB2CA1
SCHEMBL16814941 0.80 DPP4 (0.52) GABRA1GABRG2GABRB3GABRB2CA1
SCHEMBL4429459 0.80 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRB2CA1
SCHEMBL1221964 0.80 PDCD1 (0.54) PDCD1CD274BAZ2BBAZ2ABRD4
SCHEMBL167078 0.80 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRB2CA1
SCHEMBL29414063 0.80 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRB2CA1
SCHEMBL9174922 0.78 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRB2CA1
Cyanide SCHEMBL28022630 0.78 GABRA1 (0.52) GABRA1GABRG2GABRB3PDCD1CD274

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125739-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2009-12-02 EP disclosed
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US disclosed
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US disclosed
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US disclosed
WO-2008079371-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-07-03 WO 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 GABRA1 521/4885GABRG2 1055/4885GABRB3 1788/4885

“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.