SCHEMBL12649548

SCHEMBL12649548

COc1ccccc1OCc1cccc(CNC(C)C)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.64
▸ MRGPRX4 Q96LA9 1/20 0.53
▸ HTR1A P08908 5/20 0.50
▸ ADRA1D P25100 5/20 0.50
▸ ADRA1A P35348 5/20 0.50
▸ ADRA1B P35368 5/20 0.50
▸ CCR5 P51681 1/20 0.50
▸ RAB9A P51151 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ APP P05067 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.46
▸ BCHE P06276 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ NPY1R P25929 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ NPY2R P49146 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ABCB1 P08183 3/20 0.46

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
SCHEMBL9615215 0.84 MRGPRX4 (0.69) MRGPRX4HTR1AADRA1DADRA1AADRA1B
SCHEMBL12649645 0.83 SLC2A1 (0.61) SLC2A1MRGPRX4HTR1AADRA1ACCR5
SCHEMBL15309963 0.81 MRGPRX4 (0.55) MRGPRX4HTR1AADRA1DADRA1AADRA1B
SCHEMBL14878215 0.79 MRGPRX4 (0.61) MRGPRX4HTR1AADRA1DADRA1AADRA1B
SCHEMBL11794365 0.78 SLC2A1 (0.57) SLC2A1CCR5RAB9AALDH1A1LMNA
SCHEMBL12600498 0.77 MRGPRX4 (0.60) MRGPRX4HTR1AADRA1DADRA1AADRA1B
SCHEMBL27973810 0.77 MRGPRX4 (0.56) MRGPRX4HTR1AADRA1DADRA1AADRA1B
SCHEMBL7893820 0.75 KMT2A (0.67) SLC2A1SMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL27973809 0.75 MRGPRX4 (0.57) MRGPRX4HTR1AADRA1DADRA1AADRA1B
SCHEMBL15309921 0.74 SLC2A1 (0.60) SLC2A1BCHEKMT2A

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 4 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-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 SLC2A1 4684/4885MRGPRX4 3487/4885HTR1A 1213/4885

“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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