SCHEMBL9854725

SCHEMBL9854725

COc1ccccc1CCOc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.56
ABCB1 P08183 4/20 0.54
BCHE P06276 2/20 0.50
MAPT P10636 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
SIGMAR1 Q99720 1/20 0.50
AOC3 Q16853 1/20 0.50
HPGD P15428 1/20 0.50
ATM Q13315 1/20 0.50
KCNH2 Q12809 2/20 0.49
KCNA3 P22001 1/20 0.48
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
IDO1 P14902 1/20 0.47
LMNA P02545 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 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
SCHEMBL15079417 0.91 MAPT (0.61) TAAR1ABCB1BCHEMAPTL3MBTL1
SCHEMBL15079979 0.89 L3MBTL1 (0.56) TAAR1ABCB1BCHEMAPTL3MBTL1
SCHEMBL1172319 0.88 KCNA3 (0.53) TAAR1ABCB1BCHEMAPTL3MBTL1
SCHEMBL3903691 0.86 TAAR1 (0.50) TAAR1ABCB1BCHEMAPTL3MBTL1
SCHEMBL11705264 0.85 HRH1 (0.56) TAAR1KCNA3HTR1ADRD2
SCHEMBL6504228 0.82 TAAR1 (0.46) TAAR1ABCB1BCHEMAPTL3MBTL1
SCHEMBL4779293 0.81 ABCB1 (0.62) TAAR1ABCB1BCHEMAPTL3MBTL1
SCHEMBL1017940 0.81 KCNA3 (0.44) TAAR1ABCB1MAPTL3MBTL1HPGD
SCHEMBL792023 0.80 TAAR1 (0.64) TAAR1ABCB1MAPTL3MBTL1SIGMAR1
SCHEMBL9190330 0.80 TAAR1 (0.64) TAAR1ABCB1BCHEMAPTSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150004110-A1 NOVEL ANTI-AGING AND DEPIGMENTING COSMETIC COMPOSITIONS DIVERCHIM (FR) 2015-01-01 US disclosed
US-20150004110-A1 NOVEL ANTI-AGING AND DEPIGMENTING COSMETIC COMPOSITIONS DIVERCHIM (FR) 2015-01-01 US disclosed
WO-2013093320-A1 NOVEL ANTI-AGING AND DEPIGMENTING COSMETIC COMPOSITIONS DIVERCHIM (FR) 2013-06-27 WO disclosed
CN-1824647-B Crystal of (+-)2-(dimethylamino)-1-{[o-(m-methoxyphenethyl)phenoxy]methyl}ethyl hydrogen succinate hydrochloride MITSUBISHI PHARMA CORP 2011-04-20 CN disclosed
CN-1824647-A Crystal of (+-)2-(dimethylamino)-1-{[o-(m-methoxyphenethyl)phenoxy]methyl}ethyl hydrogen succinate hydrochloride MITSUBISHI PHARMA CORP (JP) 2006-08-30 CN disclosed
EP-0428423-A2 Aryloxy alkyl benzenes, processes for their preparation and pharmaceutical compositions containing them LIPHA S.A. (FR) 1991-05-22 EP disclosed
US-4038309-A PRODUCTION OF 2-HYDROXYNAPHTHALENE-3-CARBOXYLIC ACID BASF AKTIENGESELLSCHAFT (DT) 1977-07-26 US disclosed
US-4032568-A PRODUCTION OF 2-HYDROXYNAPHTHALENE-3-CARBOXYLIC ACID BASF AKTIENGESELLSCHAFT (DT) 1977-06-28 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-20150004110-A1 NOVEL ANTI-AGING AND DEPIGMENTING COSMETIC COMPOSITIONS ARG1, TYR, NOS1 TAAR1 894/4885ABCB1 4859/4885BCHE 2413/4885

“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.