SCHEMBL18550879

SCHEMBL18550879

CCOC(=O)c1cnc(-c2ccccc2)nc1COCCOCC(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
LMNA P02545 3/20 0.57
MAPT P10636 2/20 0.57
MAPK1 P28482 1/20 0.57
ATM Q13315 1/20 0.57
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
TP53 P04637 1/20 0.56
CYP1A2 P05177 4/20 0.56
POLB P06746 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
CSNK1D P48730 1/20 0.48
HSD17B10 Q99714 2/20 0.47
FOS P01100 5/20 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
SCHEMBL18549304 0.95 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL18550813 0.87 MEN1 (0.46) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL18539732 0.86 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL18550141 0.85 NR1H2 (0.42) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL18539737 0.84 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL18549679 0.81 MEN1 (0.49) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL18660859 0.81 SCN9A (0.40) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL18549710 0.77 MAPT (0.35) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
SCHEMBL18549302 0.76 HTT (0.41) ALDH1A1LMNAMAPTATMNPC1
SCHEMBL18549873 0.75 LMNA (0.40) LMNANPC1RAB9APOLBMEN1

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-3144297-A1 ETHEREAL OXYGEN ATOM-CONTAINING PERFLUOROALKYL GROUP-SUBSTITUTED PYRIMIDINE RING COMPOUND, AND METHOD FOR PRODUCING SAME Asahi Glass Company, Limited (JP) 2017-03-22 EP disclosed
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.