SCHEMBL18003447

SCHEMBL18003447

O=C(CCc1cccc(OCc2ccc(C(F)(F)F)cc2)c1)OCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.59
FFAR1 O14842 4/20 0.54
FFAR4 Q5NUL3 2/20 0.54
MRGPRX4 Q96LA9 2/20 0.51
NR4A2 P43354 1/20 0.50
PTPN2 P17706 1/20 0.50
PTPN1 P18031 1/20 0.50
PTPRB P23467 1/20 0.50
PTPN6 P29350 1/20 0.50
PTPN11 Q06124 1/20 0.50
SLC2A1 P11166 1/20 0.49
MAOA P21397 1/20 0.48
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
F10 P00742 1/20 0.46

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
SCHEMBL2908859 0.86 FFAR1 (0.64) MAOBFFAR1FFAR4NR4A2CYP4F2
SCHEMBL19088555 0.83 TDP1 (0.58) FFAR1FFAR4PTPN1
SCHEMBL18002939 0.82 CYP4F2 (0.70) MAOBFFAR1FFAR4MRGPRX4NR4A2
SCHEMBL1010424 0.80 MAOB (0.64) MAOBFFAR1FFAR4MRGPRX4NR4A2
SCHEMBL18003261 0.80 CYP4F2 (0.58) MAOBFFAR1FFAR4MRGPRX4NR4A2
SCHEMBL1008243 0.80 MAOB (0.61) MAOBMRGPRX4NR4A2PTPN2PTPN1
SCHEMBL5512060 0.79 MAOB (0.63) MAOBMRGPRX4NR4A2PTPN2PTPN1
SCHEMBL18002765 0.79 MAOB (0.56) MAOBMRGPRX4NR4A2PTPN2PTPN1
SCHEMBL1563165 0.78 FFAR1 (0.55) FFAR1FFAR4MRGPRX4NR4A2
SCHEMBL8350924 0.78 CYP4F2 (0.60) MAOBFFAR1FFAR4NR4A2CYP4F2

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-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 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 (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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 MAOB 3664/4885FFAR1 1292/4885FFAR4 1992/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 MAOB 3664/4885FFAR1 1292/4885FFAR4 1992/4885

“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.