SCHEMBL4032720

SCHEMBL4032720

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.44
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MEN1 O00255 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
TP53 P04637 2/20 0.44
TAAR1 Q96RJ0 1/20 0.41
GAA P10253 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
IDO1 P14902 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 2/20 0.38
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38

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
SCHEMBL4031376 0.89 LMNA (0.43) KMT2ALMNASMN1; SMN2MEN1NPC1
SCHEMBL4031370 0.81 KMT2A (0.48) KMT2ALMNASMN1; SMN2MEN1NPC1
SCHEMBL4025382 0.81 MEN1 (0.43) KMT2ALMNASMN1; SMN2MEN1NPC1
SCHEMBL5532731 0.72 NPC1 (0.54) KMT2ALMNASMN1; SMN2MEN1NPC1
SCHEMBL4725067 0.71 ALDH1A1 (0.54) KMT2ALMNATAAR1GAAALDH1A1
SCHEMBL9427792 0.71 MLKL (0.53) KMT2ALMNASMN1; SMN2MEN1NPC1
SCHEMBL5530550 0.70 RAB9A (0.58) KMT2ALMNASMN1; SMN2MEN1NPC1
SCHEMBL1130956 0.70 FFAR1 (0.54) KMT2ALMNASMN1; SMN2MEN1NPC1
SCHEMBL8471694 0.69 MYC (0.48) KMT2ALMNASMN1; SMN2MEN1NPC1
SCHEMBL5517429 0.69 RAB9A (0.46) KMT2ALMNASMN1; SMN2MEN1NPC1

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 KMT2A 4771/4885LMNA 751/4885SMN1; SMN2 2873/4885
US-20090275565-A1 Substituted aralkyl derivatives UGT1A7, UGT1A10, UGT2B7 KMT2A 4771/4885LMNA 751/4885SMN1; SMN2 2873/4885

“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.