SCHEMBL21945554

SCHEMBL21945554

C=Cc1cc(O)cc(OC(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.37
TPX2 Q9ULW0 1/20 0.37
GPR84 Q9NQS5 1/20 0.37
PTGS1 P23219 2/20 0.34
LCK P06239 1/20 0.33
TTR P02766 1/20 0.33
CYP1A1 P04798 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS2 P35354 1/20 0.33
CYP1B1 Q16678 1/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL16954166 0.88 GPR3 (0.35) CYP1A1CYP1B1MAPTALDH1A1GPR3
SCHEMBL816836 0.81 AURKA (0.44) AURKATPX2GPR84PTGS1MAPT
SCHEMBL24445859 0.81 AURKA (0.44) AURKATPX2GPR84PTGS1LCK
SCHEMBL22089760 0.81 AURKA (0.41) AURKATPX2GPR84PTGS1LCK
SCHEMBL16959527 0.81 GPR3 (0.34) GPR3PIM1PIM2
SCHEMBL30986199 0.81 AURKA (0.41) AURKATPX2GPR84PTGS1LCK
SCHEMBL16953532 0.79 GPR3 (0.31) TRPV1GPR3PIM1PIM2
SCHEMBL16955225 0.79 CYP1A1 (0.47) PTGS1TTRCYP1A1ALOX5PTGS2
SCHEMBL18002803 0.79 PIM1 (0.33) GPR3EPHX2PIM1PIM2
SCHEMBL16956540 0.79 PGR (0.33) ALDH1A1GPR3PIM1PIM2

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 2 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

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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 AURKA 1234/4885TPX2 2721/4885GPR84 1745/4885

“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.