SCHEMBL514951

SCHEMBL514951

COc1ccc(CNCCC(C)C)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.70
MAPT P10636 2/20 0.70
MAPK1 P28482 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
KDM4E B2RXH2 3/20 0.63
POLB P06746 2/20 0.63
KMT2A Q03164 6/20 0.61
MEN1 O00255 5/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C19 P33261 1/20 0.61
ALDH1A1 P00352 3/20 0.55
GLA P06280 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA4 P22748 1/20 0.53
CA9 Q16790 1/20 0.53
HDAC3 O15379 1/20 0.52

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
SCHEMBL31061408 1.00 NPSR1 (0.70) NPSR1MAPTMAPK1L3MBTL1KDM4E
SCHEMBL5972208 0.86 KDM4E (0.75) MAPTKDM4EPOLBKMT2AMEN1
SCHEMBL31606732 0.86 KDM4E (0.75) MAPTKDM4EPOLBKMT2AMEN1
SCHEMBL13995502 0.86 ATM (0.61) NPSR1MAPTMAPK1L3MBTL1KDM4E
SCHEMBL1599701 0.82 KDM4E (0.69) NPSR1MAPTKDM4EPOLBKMT2A
SCHEMBL29484286 0.82 KDM4E (0.69) NPSR1MAPTKDM4EPOLBKMT2A
SCHEMBL1966851 0.81 KDM4E (0.69) MAPTKDM4EPOLBKMT2AMEN1
SCHEMBL11020362 0.80 POLB (0.67) MAPTKDM4EPOLBKMT2AMEN1
SCHEMBL10437146 0.80 KDM4E (0.71) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL6991909 0.80 KDM4E (0.82) KDM4EPOLBKMT2AMEN1ALDH1A1

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-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

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 NPSR1 2974/4885MAPT 382/4885MAPK1 3791/4885

“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.