SCHEMBL1678696

SCHEMBL1678696

CC(=O)c1cccc(-c2ccc(OCc3ccc(C(F)(F)F)c(O)c3C(=O)O)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.60
NR1H3 Q13133 5/20 0.60
RXRA P19793 3/20 0.53
MAOB P27338 4/20 0.50
MAOA P21397 1/20 0.50
PTGER4 P35408 4/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
MRGPRX4 Q96LA9 2/20 0.44
SRD5A2 P31213 1/20 0.43
EPHX2 P34913 1/20 0.41
KIF11 P52732 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
SCHEMBL1679556 0.84 NR1H2 (0.58) NR1H2NR1H3RXRAPTGER4SRD5A2
SCHEMBL1679275 0.82 NR1H2 (0.69) NR1H2NR1H3RXRAPTGER4MRGPRX4
SCHEMBL1679615 0.82 NR1H2 (0.56) NR1H2NR1H3RXRAPTGER4LMNA
SCHEMBL1679674 0.81 NR1H2 (0.55) NR1H2NR1H3RXRAMAOBMAOA
SCHEMBL1678948 0.80 NR1H2 (0.61) NR1H2NR1H3RXRAPTGER4MRGPRX4
SCHEMBL1678802 0.78 NR1H2 (0.53) NR1H2NR1H3RXRAMAOBMAOA
SCHEMBL1679361 0.77 NR1H2 (0.53) NR1H2NR1H3RXRAPTGER4LMNA
SCHEMBL1679359 0.77 NR1H2 (0.60) NR1H2NR1H3RXRAMAOBMAOA
SCHEMBL1679601 0.77 NR1H2 (0.66) NR1H2NR1H3RXRAMAOBMAOA
SCHEMBL1678671 0.77 NR1H2 (0.53) NR1H2NR1H3RXRAMAOBMAOA

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.