SCHEMBL4026210

SCHEMBL4026210

CCOC(CCO)c1ccc(OCc2nc3ccccc3n2C)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.59
NPC1 O15118 8/20 0.59
SMN1; SMN2 Q16637 3/20 0.57
TP53 P04637 2/20 0.50
ALOX5 P09917 1/20 0.47
LMNA P02545 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 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
SCHEMBL4025386 0.88 RAB9A (0.58) RAB9ANPC1SMN1; SMN2TP53ALOX5
SCHEMBL4026213 0.79 RAB9A (0.59) RAB9ANPC1SMN1; SMN2TP53LMNA
SCHEMBL4026207 0.79 RAB9A (0.59) RAB9ANPC1SMN1; SMN2TP53LMNA
SCHEMBL4029820 0.77 L3MBTL1 (0.57) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL9472171 0.77 RAB9A (0.66) RAB9ANPC1SMN1; SMN2TP53ALOX5
SCHEMBL2247920 0.76 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TP53MEN1
SCHEMBL4512157 0.76 KDM4E (0.61) RAB9ANPC1SMN1; SMN2KMT2ATSHR
SCHEMBL2247503 0.75 RAB9A (0.81) RAB9ANPC1SMN1; SMN2TP53LMNA
SCHEMBL14451614 0.74 RAB9A (0.78) RAB9ANPC1SMN1; SMN2TP53MEN1
SCHEMBL2245364 0.74 RAB9A (0.78) RAB9ANPC1SMN1; SMN2TP53LMNA

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 RAB9A 543/4885NPC1 1894/4885SMN1; SMN2 2873/4885
US-20090275565-A1 Substituted aralkyl derivatives UGT1A7, UGT1A10, UGT2B7 RAB9A 543/4885NPC1 1894/4885SMN1; 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.