SCHEMBL18539737

SCHEMBL18539737

CCOC(=O)c1cnc(-c2ccccc2)nc1COCC(F)(F)OC(C)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
LMNA P02545 3/20 0.55
MAPT P10636 2/20 0.55
MAPK1 P28482 1/20 0.55
ATM Q13315 1/20 0.55
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
TP53 P04637 1/20 0.54
CYP1A2 P05177 4/20 0.54
POLB P06746 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
FOS P01100 3/20 0.44
JUN P05412 3/20 0.44
NFKB1 P19838 3/20 0.44

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
SCHEMBL18549304 0.89 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL18539741 0.89 MEN1 (0.44) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL18539742 0.87 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL18539732 0.84 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL18550879 0.84 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL18539735 0.79 MAPT (0.36) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL18539731 0.78 HTT (0.37) ALDH1A1LMNATP53MEN1KMT2A
SCHEMBL18539733 0.77 NTRK1 (0.37) LMNARAB9ANPC1POLBMEN1
SCHEMBL18549679 0.75 MEN1 (0.49) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL18539734 0.74 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170050934-A1 ETHERIC (ETHEREAL) OXYGEN ATOM-CONTAINING PERFLUOROALKYL GROUP-SUBSTITUTED PYRIMIDINE RING COMPOUND, AND METHOD FOR ITS PRODUCTION ASAHI GLASS COMPANY, LIMITED (JP) 2017-02-23 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-20170050934-A1 ETHERIC (ETHEREAL) OXYGEN ATOM-CONTAINING PERFLUOROALKYL GROUP-SUBSTITUTED PYRIMIDINE RING COMPOUND, AND METHOD FOR ITS PRODUCTION CYP2B6, PFAS, CYP2F1 ALDH1A1 1430/4885SMN1; SMN2 4379/4885LMNA 3404/4885

“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.