SCHEMBL12600480

SCHEMBL12600480

CCc1ccccc1OCc1cccc(CN(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CARM1 Q86X55 4/20 0.49
▸ PRMT1 Q99873 4/20 0.49
▸ SLC6A2 P23975 1/20 0.48
▸ SLC6A4 P31645 1/20 0.48
▸ SLC6A3 Q01959 1/20 0.48
▸ ABCB1 P08183 4/20 0.48
▸ HTR1A P08908 3/20 0.48
▸ DRD2 P14416 3/20 0.48
▸ HTR7 P34969 1/20 0.47
▸ MAOB P27338 1/20 0.46
▸ NISCH Q9Y2I1 1/20 0.45
▸ MRGPRX4 Q96LA9 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ SLC1A5 Q15758 1/20 0.44
▸ ABCG2 Q9UNQ0 1/20 0.44
▸ CFD P00746 1/20 0.43
▸ PLG P00747 1/20 0.43

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
SCHEMBL12600483 0.87 BCHE (0.52) CARM1PRMT1ABCB1HTR1ADRD2
SCHEMBL15309905 0.85 ABCB1 (0.50) CARM1PRMT1ABCB1HTR1ADRD2
SCHEMBL15309966 0.82 CFD (0.61) CARM1PRMT1ABCB1HTR1ADRD2
SCHEMBL20257761 0.80 SLC1A5 (0.55) ABCB1HTR1ADRD2MAOBMRGPRX4
SCHEMBL12600468 0.79 MRGPRX4 (0.57) HTR7MAOBNISCHMRGPRX4GAA
SCHEMBL12649851 0.79 ALDH1A1 (0.54) CARM1PRMT1SLC6A2SLC6A4SLC6A3
SCHEMBL28800848 0.79 ABCB1 (0.55) ABCB1HTR1ADRD2MRGPRX4GAA
SCHEMBL1894256 0.79 HTR1A (0.67) ABCB1HTR1ADRD2NISCHGAA
SCHEMBL11919282 0.79 LMNA (0.64) ABCB1HTR1ADRD2MAOBMRGPRX4
SCHEMBL12649816 0.78 GAA (0.65) ABCB1HTR1ADRD2MRGPRX4GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499112-B1 SUBSTITUTED 3-(PHENOXYMETHYL) BENZYL AMINES AND PERSONAL CARE COMPOSITIONS UNILEVER PLC NO 41424 (GB) 2013-10-16 — — EP disclosed
US-8425885-B2 Substituted 3-(phenoxymethyl) benzyl amines and personal care compositions CONOPCO, INC. (US) 2013-04-23 — — US disclosed
US-8425885-B2 Substituted 3-(phenoxymethyl) benzyl amines and personal care compositions CONOPCO, INC. (US) 2013-04-23 — — US disclosed
US-20110110871-A1 SUBSTITUTED 3-(PHENOXYMETHYL) BENZYL AMINES AND PERSONAL CARE COMPOSITIONS CONOPCO, INC., D/B/A UNILEVER (US) 2011-05-12 — — US disclosed
US-20110110871-A1 SUBSTITUTED 3-(PHENOXYMETHYL) BENZYL AMINES AND PERSONAL CARE COMPOSITIONS CONOPCO, INC., D/B/A UNILEVER (US) 2011-05-12 — — 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-20110110871-A1 SUBSTITUTED 3-(PHENOXYMETHYL) BENZYL AMINES AND PERSONAL CARE COMPOSITIONS TYR, CUTA, BRD3 CARM1 230/4885PRMT1 205/4885SLC6A2 3012/4885

“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.

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