SCHEMBL4031376

SCHEMBL4031376

CCOC(O)CCc1ccc(OC(C)c2nc3ccccc3[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
IDO1 P14902 1/20 0.42
HTT P42858 1/20 0.41
MLKL Q8NB16 2/20 0.41
GAA P10253 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TAAR1 Q96RJ0 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ALOX12 P18054 1/20 0.38
KLF5 Q13887 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL4032720 0.89 KMT2A (0.44) LMNAKMT2ANPC1RAB9AMEN1
SCHEMBL4031370 0.82 KMT2A (0.48) LMNAKMT2ANPC1RAB9AMEN1
SCHEMBL4025382 0.79 MEN1 (0.43) LMNAKMT2ANPC1RAB9AMEN1
SCHEMBL9427792 0.74 MLKL (0.53) LMNAKMT2ANPC1RAB9AMEN1
SCHEMBL5532731 0.72 NPC1 (0.54) LMNAKMT2ANPC1RAB9AMEN1
SCHEMBL5530550 0.71 RAB9A (0.58) LMNAKMT2ANPC1RAB9AMEN1
SCHEMBL1130956 0.70 FFAR1 (0.54) LMNAKMT2ANPC1RAB9AMEN1
SCHEMBL5517429 0.69 RAB9A (0.46) LMNAKMT2ANPC1RAB9AMEN1
SCHEMBL8471694 0.69 MYC (0.48) LMNAKMT2ANPC1RAB9AMEN1
SCHEMBL4725067 0.69 ALDH1A1 (0.54) LMNAKMT2AIDO1MLKLGAA

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-1569916-B1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD (IN) 2009-01-07 EP claimed
US-20090275565-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED (IN) 2009-11-05 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-20090275565-A1 Substituted aralkyl derivatives UGT1A7, UGT1A10, UGT2B7 LMNA 751/4885KMT2A 4771/4885NPC1 1894/4885

“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.