SCHEMBL1773199

SCHEMBL1773199

CCc1cc(Br)ccc1C(CC)(C(=O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.39
PRNP P04156 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PPARG P37231 1/20 0.38
HIF1A Q16665 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NR2E3 Q9Y5X4 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 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
SCHEMBL6806145 0.81 MAPT (0.38) CYP1A2CYP2C9CYP2C19PPARGSMN1; SMN2
SCHEMBL9052781 0.81 ALDH1A1 (0.41) ALDH1A1MEN1KMT2A
SCHEMBL1772317 0.79 RIPK1 (0.43) MAPK1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL11785058 0.78 CYP2C9 (0.42) PTGDR2PRNPCYP1A2CYP2C9CYP2C19
SCHEMBL9052682 0.77 CYP2C9 (0.45) CYP2C9PPARGHIF1AMAPK1KDM4E
SCHEMBL7620826 0.77 DCLRE1A (0.44) CYP1A2CYP2C9SMN1; SMN2ALDH1A1MEN1
SCHEMBL15197115 0.76 PTGDR2 (0.44) PTGDR2MAPK1SMN1; SMN2KDM4EALDH1A1
SCHEMBL9054298 0.74 ALDH1A1 (0.48) CYP1A2CYP2C9CYP2C19ALDH1A1KMT2A
SCHEMBL11646527 0.74 GABRA1 (0.46) CYP2C9ALDH1A1HPGDLMNATSHR
SCHEMBL2964988 0.74 GABRA1 (0.45) CYP1A2CYP2C19ALDH1A1L3MBTL1MAPT

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-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-12 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-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND EPOR, CBR1, CBR3 PTGDR2 280/4885PRNP 3896/4885CYP1A2 130/4885

“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.