SCHEMBL1679601

SCHEMBL1679601

COC(=O)Cc1ccc(-c2ccc(OCc3ccc(C(F)(F)F)c(O)c3C(=O)O)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.66
NR1H3 Q13133 4/20 0.66
RXRA P19793 4/20 0.46
PTGER4 P35408 5/20 0.45
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SRD5A2 P31213 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
RXRB P28702 2/20 0.40
RXRG P48443 2/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
ADAMTS4 O75173 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
SCHEMBL1679275 0.90 NR1H2 (0.69) NR1H2NR1H3RXRAPTGER4FFAR1
SCHEMBL1678366 0.89 NR1H2 (0.54) NR1H2NR1H3RXRAPTGER4LMNA
SCHEMBL1678830 0.88 NR1H2 (0.64) NR1H2NR1H3RXRAPTGER4SRD5A2
SCHEMBL1679093 0.88 NR1H2 (0.82) NR1H2NR1H3RXRAPTGER4NPC1
SCHEMBL1679361 0.87 NR1H2 (0.53) NR1H2NR1H3RXRAPTGER4LMNA
SCHEMBL1679284 0.87 NR1H2 (0.62) NR1H2NR1H3RXRAPTGER4NPC1
SCHEMBL1679499 0.86 NR1H2 (0.64) NR1H2NR1H3RXRAPTGER4SRD5A2
SCHEMBL1678478 0.83 NR1H2 (0.58) NR1H2NR1H3RXRAPTGER4SRD5A2
SCHEMBL1679359 0.83 NR1H2 (0.60) NR1H2NR1H3RXRAPTGER4SRD5A2
SCHEMBL1678802 0.81 NR1H2 (0.53) NR1H2NR1H3RXRAPTGER4SRD5A2

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.