SCHEMBL4025382

SCHEMBL4025382

CCOCCOCCCc1ccc(OC(C)c2nc3ccccc3[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 3/20 0.43
TP53 P04637 2/20 0.43
NPC1 O15118 2/20 0.43
TAAR1 Q96RJ0 1/20 0.39
HTT P42858 3/20 0.38
MAPT P10636 2/20 0.38
GALR3 O60755 1/20 0.38
STAT3 P40763 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
HPGD P15428 1/20 0.37
ALDH1A1 P00352 2/20 0.36
IDO1 P14902 1/20 0.36

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 0.81 KMT2A (0.44) MEN1KMT2ALMNASMN1; SMN2RAB9A
SCHEMBL4031376 0.79 LMNA (0.43) MEN1KMT2ALMNASMN1; SMN2RAB9A
SCHEMBL4031370 0.75 KMT2A (0.48) MEN1KMT2ALMNASMN1; SMN2RAB9A
Carbamic Acid SCHEMBL10824337 0.71 KMT2A (0.49) KMT2ALMNASMN1; SMN2TAAR1MAPT
SCHEMBL20419190 0.70 POLB (0.45) MEN1KMT2ALMNASMN1; SMN2CYP2D6
SCHEMBL5532731 0.70 NPC1 (0.54) MEN1KMT2ALMNASMN1; SMN2RAB9A
SCHEMBL9427792 0.69 MLKL (0.53) MEN1KMT2ALMNASMN1; SMN2RAB9A
SCHEMBL5530550 0.68 RAB9A (0.58) MEN1KMT2ALMNASMN1; SMN2RAB9A
SCHEMBL1130956 0.68 FFAR1 (0.54) MEN1KMT2ALMNASMN1; SMN2RAB9A
SCHEMBL8471694 0.67 MYC (0.48) MEN1KMT2ALMNASMN1; SMN2RAB9A

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 9 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-20060142277-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED 2006-06-29 US claimed
EP-1569916-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD. (IN) 2005-09-07 EP claimed
WO-2004046119-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2004-06-03 WO claimed
US-20090275565-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED (IN) 2009-11-05 US disclosed
EP-1569916-B1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD (IN) 2009-01-07 EP disclosed
US-20060142277-A1 Substituted aralkyl derivatives CADILA HEALTHCARE LIMITED 2006-06-29 US disclosed
EP-1569916-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LTD. (IN) 2005-09-07 EP disclosed
WO-2004046119-A1 SUBSTITUTED ARALKYL DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2004-06-03 WO 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 (2 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-20060142277-A1 Substituted aralkyl derivatives UGT1A7, UGT1A10, UGT2B7 MEN1 2907/4885KMT2A 4771/4885LMNA 751/4885
US-20090275565-A1 Substituted aralkyl derivatives UGT1A7, UGT1A10, UGT2B7 MEN1 2907/4885KMT2A 4771/4885LMNA 751/4885

“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.