SCHEMBL1679334

SCHEMBL1679334

CC(C(=O)O)c1ccc(-c2ccc(OCc3ccc(C(F)(F)F)c(O)c3C(=O)OC(C)(C)C)cc2)cc1Cl

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 11/20 0.65
NR1H3 Q13133 9/20 0.65
RXRA P19793 9/20 0.56
ADAMTS4 O75173 1/20 0.38
MMP13 P45452 1/20 0.38
AKR1C2 P52895 2/20 0.37
AKR1C3 P42330 1/20 0.37
PTGER4 P35408 2/20 0.35
AKR1C1 Q04828 1/20 0.34
FFAR1 O14842 2/20 0.34
SRD5A2 P31213 1/20 0.34
PTGS2 P35354 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
SCHEMBL1678676 0.90 NR1H2 (0.66) NR1H2NR1H3RXRAADAMTS4MMP13
SCHEMBL1679305 0.90 NR1H2 (0.66) NR1H2NR1H3RXRAADAMTS4MMP13
SCHEMBL1678343 0.88 NR1H2 (0.72) NR1H2NR1H3RXRAADAMTS4MMP13
SCHEMBL1678560 0.86 NR1H2 (0.60) NR1H2NR1H3RXRAAKR1C2AKR1C3
SCHEMBL1679037 0.86 NR1H2 (0.78) NR1H2NR1H3RXRAPTGER4
SCHEMBL1678473 0.85 NR1H2 (0.63) NR1H2NR1H3RXRAADAMTS4MMP13
SCHEMBL1679624 0.84 NR1H2 (0.62) NR1H2NR1H3RXRAADAMTS4MMP13
SCHEMBL1679505 0.84 NR1H2 (0.61) NR1H2NR1H3RXRAADAMTS4MMP13
SCHEMBL1679697 0.83 NR1H2 (0.63) NR1H2NR1H3RXRAAKR1C2AKR1C3
SCHEMBL1678042 0.83 NR1H2 (0.60) NR1H2NR1H3RXRAAKR1C2AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923573-B2 Benzene compound having 2 or more substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-12 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

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-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 NR1H2 1/4885NR1H3 2/4885RXRA 5/4885

“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.