SCHEMBL4031370

SCHEMBL4031370

CCO[C@H](CO)Cc1ccc(OC(C)c2nc3ccccc3[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TP53 P04637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 2/20 0.42
MAPK1 P28482 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
IDO1 P14902 1/20 0.40
HTT P42858 2/20 0.40
MLKL Q8NB16 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.39

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 0.82 LMNA (0.43) KMT2AMEN1LMNASMN1; SMN2TP53
SCHEMBL4032720 0.81 KMT2A (0.44) KMT2AMEN1LMNASMN1; SMN2TP53
SCHEMBL4025382 0.75 MEN1 (0.43) KMT2AMEN1LMNASMN1; SMN2TP53
SCHEMBL5532731 0.73 NPC1 (0.54) KMT2AMEN1LMNASMN1; SMN2NPC1
SCHEMBL9427792 0.72 MLKL (0.53) KMT2AMEN1LMNASMN1; SMN2TP53
SCHEMBL6700259 0.72 PPARA (0.47) KMT2AMEN1CYP2D6CYP2C9CYP2C19
SCHEMBL5530550 0.71 RAB9A (0.58) KMT2AMEN1LMNASMN1; SMN2NPC1
SCHEMBL1130956 0.71 FFAR1 (0.54) KMT2AMEN1LMNASMN1; SMN2TP53
Hydrochloric Acid SCHEMBL6700575 0.71 PPARA (0.46) KMT2AMEN1CYP2D6CYP2C9CYP2C19
SCHEMBL6701366 0.71 MEN1 (0.44) KMT2AMEN1NPC1RAB9ACYP2D6

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 KMT2A 4771/4885MEN1 2907/4885LMNA 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.