SCHEMBL18003261

SCHEMBL18003261

OCCCc1cccc(OCc2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.58
CYP4A11 Q02928 1/20 0.58
MAOB P27338 8/20 0.57
LTA4H P09960 1/20 0.55
EPHX2 P34913 1/20 0.55
PTPN2 P17706 1/20 0.51
PTPN1 P18031 1/20 0.51
PTPRB P23467 1/20 0.51
PTPN6 P29350 1/20 0.51
PTPN11 Q06124 1/20 0.51
SLC2A1 P11166 1/20 0.50
MAOA P21397 1/20 0.49
MRGPRX4 Q96LA9 2/20 0.49
NR4A2 P43354 1/20 0.48
MGLL Q99685 1/20 0.48
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 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
SCHEMBL18002939 0.92 CYP4F2 (0.70) CYP4F2CYP4A11MAOBPTPN2PTPN1
SCHEMBL5512060 0.86 MAOB (0.63) CYP4F2CYP4A11MAOBPTPN2PTPN1
SCHEMBL18003091 0.84 LTA4H (0.67) MAOBLTA4HEPHX2PTPN2PTPN1
SCHEMBL3165628 0.84 CYP4F2 (0.81) CYP4F2CYP4A11MAOBLTA4HEPHX2
SCHEMBL9627323 0.81 MAOB (0.70) MAOBLTA4HEPHX2MRGPRX4NR4A2
SCHEMBL22070863 0.81 CYP4F2 (0.61) CYP4F2CYP4A11MAOBLTA4HEPHX2
SCHEMBL23642870 0.80 MAOB (0.64) MAOBLTA4HEPHX2PTPN2PTPN1
SCHEMBL19685525 0.80 MAOB (0.63) MAOBPTPN2PTPN1PTPRBPTPN6
SCHEMBL15833208 0.80 MAOB (0.72) MAOBPTPN2PTPN1PTPRBPTPN6
SCHEMBL5512565 0.80 MAOB (0.59) MAOBPTPN2PTPN1PTPRBPTPN6

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
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
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 CYP4F2 1779/4885CYP4A11 935/4885MAOB 3664/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 CYP4F2 1779/4885CYP4A11 935/4885MAOB 3664/4885

“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.