SCHEMBL4941499

SCHEMBL4941499

Cc1c(CC(=O)O)cccc1-c1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 6/20 0.53
PDCD1 Q15116 2/20 0.53
PTGS1 P23219 1/20 0.53
PTGS2 P35354 2/20 0.52
SUCNR1 Q9BXA5 2/20 0.50
AKR1B1 P15121 1/20 0.46
CA2 P00918 1/20 0.43
CAMK2A Q9UQM7 1/20 0.43
EPHX1 P07099 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTGER1 P34995 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
DUSP3 P51452 1/20 0.41
PTPN5 P54829 1/20 0.41
PTPN11 Q06124 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41

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
SCHEMBL4942763 0.85 PTGS1 (0.46) PTGS1PTGS2SUCNR1AKR1B1CA2
SCHEMBL23512476 0.84 CD274 (0.50) CD274PDCD1PTGS1PTGS2SUCNR1
SCHEMBL4941492 0.83 MMP2 (0.58) CD274PDCD1PTGS1PTGS2SUCNR1
SCHEMBL7601609 0.83 AKR1B1 (0.57) PTGS1PTGS2AKR1B1CA2CAMK2A
SCHEMBL4235806 0.82 AKR1B1 (0.47) PTGS1SUCNR1AKR1B1CA2CAMK2A
SCHEMBL4941479 0.81 AKR1B1 (0.43) PTGS1PTGS2SUCNR1AKR1B1CA2
SCHEMBL25146592 0.81 PTGS2 (0.50) CD274PDCD1PTGS1PTGS2SUCNR1
SCHEMBL4940053 0.80 NR1H4 (0.46) AKR1B1CA2CAMK2APTGER1PTGER4
SCHEMBL8695471 0.79 PDCD1 (0.59) CD274PDCD1PTGS1PTGS2SUCNR1
SCHEMBL19475173 0.78 PTGS2 (0.55) CD274PDCD1PTGS1PTGS2SUCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255111-A1 Tissue Factor Production Inhibitor SANKYO COMPANY LIMITED (JP) 2008-10-16 US disclosed
US-20080004301-A1 Benzene Compound Having 2 or More Substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-01-03 US disclosed
EP-1806332-A1 BENZENE COMPOUND HAVING 2 OR MORE SUBSTITUENTS Daiichi Sankyo Company, Limited (JP) 2007-07-11 EP disclosed
EP-1764075-A1 TISSUE FACTOR PRODUCTION INHIBITOR Sankyo Company, Limited (JP) 2007-03-21 EP 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 (2 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-20080255111-A1 Tissue Factor Production Inhibitor PTAFR, PLAT, TFPI CD274 1689/4885PDCD1 2031/4885PTGS1 329/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 CD274 2606/4885PDCD1 3955/4885PTGS1 3614/4885

“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.