SCHEMBL514870

SCHEMBL514870

COc1ccc(CN(C)CCc2ccccc2)cc1OC

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.82
MEN1 O00255 2/20 0.82
KDM4E B2RXH2 6/20 0.80
CYP1A2 P05177 2/20 0.80
CYP3A4 P08684 2/20 0.80
CYP2D6 P10635 2/20 0.80
BLM P54132 2/20 0.80
CYP2C9 P11712 1/20 0.80
PMP22 Q01453 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.66
L3MBTL1 Q9Y468 2/20 0.65
ALDH1A1 P00352 4/20 0.63
SMPD1 P17405 1/20 0.61
AOC3 Q16853 1/20 0.56
BCHE P06276 1/20 0.56
ACHE P22303 1/20 0.56
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
HTR2B P41595 1/20 0.54
GAA P10253 1/20 0.54

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
SCHEMBL10390463 0.94 KDM4E (0.80) KMT2AMEN1KDM4ECYP1A2CYP3A4
SCHEMBL5070866 0.88 CYP1A2 (0.69) KMT2AMEN1KDM4ECYP1A2CYP3A4
SCHEMBL8789804 0.87 CYP19A1 (0.67) KMT2AMEN1KDM4ECYP1A2CYP3A4
SCHEMBL6131892 0.86 MEN1 (0.67) KMT2AMEN1KDM4ECYP1A2CYP3A4
SCHEMBL4740336 0.85 KDM4E (0.68) KMT2AMEN1KDM4ECYP1A2CYP3A4
SCHEMBL8790689 0.85 KDM4E (0.67) KMT2AMEN1KDM4ECYP1A2CYP3A4
SCHEMBL14301912 0.84 CYP1A2 (0.77) KMT2AMEN1KDM4ECYP1A2CYP3A4
SCHEMBL8836555 0.82 CYP1A2 (0.69) KMT2AMEN1KDM4ECYP1A2CYP3A4
SCHEMBL8789896 0.82 CYP1A2 (0.69) KMT2AMEN1KDM4ECYP1A2CYP3A4
Hydrochloric Acid SCHEMBL5097137 0.82 BLM (0.77) KMT2AMEN1KDM4ECYP1A2CYP3A4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598110-B1 SKIN CARE COMPOSITIONS COMPRISING SUBSTITUTED MONOAMINES UNILEVER PLC (GB) 2015-09-02 EP disclosed
EP-2598110-A2 SKIN CARE COMPOSITIONS COMPRISING SUBSTITUTED MONOAMINES Unilever PLC (GB) 2013-06-05 EP disclosed
US-8293218-B2 Skin care compositions comprising substituted monoamines CONOPCO, INC. (US) 2012-10-23 US disclosed
US-8293218-B2 Skin care compositions comprising substituted monoamines CONOPCO, INC. (US) 2012-10-23 US disclosed
US-8293218-B2 Skin care compositions comprising substituted monoamines CONOPCO, INC. (US) 2012-10-23 US disclosed
US-20120027699-A1 SKIN CARE COMPOSITIONS COMPRISING SUBSTITUTED MONOAMINES CONOPCO, INC., D/B/A UNILEVER (US) 2012-02-02 US disclosed
US-20120027699-A1 SKIN CARE COMPOSITIONS COMPRISING SUBSTITUTED MONOAMINES CONOPCO, INC., D/B/A UNILEVER (US) 2012-02-02 US disclosed
US-20120027699-A1 SKIN CARE COMPOSITIONS COMPRISING SUBSTITUTED MONOAMINES CONOPCO, INC., D/B/A UNILEVER (US) 2012-02-02 US disclosed
WO-2012013418-A2 SKIN CARE COMPOSITIONS COMPRISING SUBSTITUTED MONOAMINES UNILEVER PLC (GB) 2012-02-02 WO disclosed
WO-2012013418-A2 SKIN CARE COMPOSITIONS COMPRISING SUBSTITUTED MONOAMINES UNILEVER PLC (GB) 2012-02-02 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 (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-20120027699-A1 SKIN CARE COMPOSITIONS COMPRISING SUBSTITUTED MONOAMINES TYR, CUTA, MAOA KMT2A 593/4885MEN1 3778/4885KDM4E 331/4885

“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.