SCHEMBL2644745

SCHEMBL2644745

CCCOCCNC(=O)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.60
MCHR1 Q99705 1/20 0.54
POLB P06746 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
RAB9A P51151 1/20 0.52
LMNA P02545 1/20 0.51
GOT1 P17174 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49

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
SCHEMBL22118180 0.83 EPHX2 (0.65) EPHX2MCHR1POLBMEN1KMT2A
SCHEMBL13480573 0.82 EPHX2 (0.73) EPHX2MCHR1POLBALDH1A1RAB9A
SCHEMBL4117377 0.81 EPHX2 (0.71) EPHX2MCHR1ALDH1A1RAB9ALMNA
SCHEMBL2643999 0.80 EPHX2 (0.65) EPHX2MCHR1POLBMEN1KMT2A
SCHEMBL16449003 0.79 ALDH1A1 (0.63) KDM4EALDH1A1RAB9ALMNAMAPT
SCHEMBL11778849 0.79 EPHX2 (0.67) EPHX2MCHR1POLBALDH1A1RAB9A
SCHEMBL19358893 0.77 EPHX2 (0.68) EPHX2MCHR1POLBMEN1KMT2A
SCHEMBL5314657 0.77 EPHX2 (0.69) EPHX2MCHR1POLBMEN1KMT2A
SCHEMBL11555827 0.77 EPHX2 (1.00) EPHX2MEN1KMT2AALDH1A1RAB9A
SCHEMBL19381603 0.77 EPHX2 (0.77) EPHX2MCHR1POLBMEN1KMT2A

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-20040209928-A1 Glucagon receptor antagonists/inverse agonists ABBOTT LABORATORIES 2004-10-21 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-20040209928-A1 Glucagon receptor antagonists/inverse agonists GLP1R, GPR119, GCGR EPHX2 3048/4885MCHR1 193/4885POLB 4202/4885

“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.