SCHEMBL12600488

SCHEMBL12600488

CCN(CC)Cc1cccc(COc2ccccc2C(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 8/20 0.50
▸ MRGPRX4 Q96LA9 2/20 0.45
▸ NISCH Q9Y2I1 1/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HTR1A P08908 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ HTR7 P34969 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ HTR5A P47898 1/20 0.40
▸ HTR6 P50406 1/20 0.40
▸ RXRA P19793 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL15310220 0.86 L3MBTL1 (0.46) MRGPRX4NISCHL3MBTL1MEN1CYP1A2
SCHEMBL12600493 0.82 BCHE (0.54) BCHEMRGPRX4L3MBTL1HTR1AHTR2C
SCHEMBL12600530 0.82 MRGPRX4 (0.58) BCHEMRGPRX4MEN1CYP1A2CYP3A4
SCHEMBL12600483 0.81 BCHE (0.52) BCHEMRGPRX4NISCHL3MBTL1HTR1A
SCHEMBL27889645 0.81 ABCB1 (0.44) MRGPRX4NISCHL3MBTL1MEN1CYP1A2
SCHEMBL12600485 0.80 MRGPRX4 (0.58) BCHEMRGPRX4MAPT
SCHEMBL683595 0.77 L3MBTL1 (0.58) NISCHL3MBTL1MEN1CYP1A2CYP3A4
SCHEMBL12600518 0.77 BCHE (0.75) BCHEMRGPRX4L3MBTL1MAPK1GYS1
SCHEMBL23419799 0.77 SMN1; SMN2 (0.51) KMT2AMAPTMAPK1
SCHEMBL22480760 0.76 MRGPRX4 (0.73) MRGPRX4MEN1KMT2A

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 6 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
WO-2011054805-A1 SUBSTITUTED 3-(PHENOXYMETHYL) BENZYL AMINES AND PERSONAL CARE COMPOSITIONS UNILEVER PLC (GB) 2011-05-12 — — 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-20110110871-A1 SUBSTITUTED 3-(PHENOXYMETHYL) BENZYL AMINES AND PERSONAL CARE COMPOSITIONS TYR, CUTA, BRD3 BCHE 1155/4885MRGPRX4 3487/4885NISCH 222/4885

“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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