SCHEMBL13645979

SCHEMBL13645979

CN(CCCCN(C)c1ccc(CO)cc1)c1ccc(CO)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.41
▸ TSHR P16473 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ MCHR1 Q99705 1/20 0.38
▸ VHL P40337 1/20 0.38
▸ ELOC Q15369 1/20 0.38
▸ ELOB Q15370 1/20 0.38
▸ APP P05067 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NOS3 P29474 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ MMP14 P50281 1/20 0.35
▸ PRSS1 P07477 1/20 0.34
▸ PRSS2 P07478 1/20 0.34

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
SCHEMBL14549464 0.92 ALDH1A1 (0.40) MAPTTSHRALDH1A1PPARGCHRM1
SCHEMBL10317053 0.90 MAPT (0.53) MAPTPPARGCHRM1HTR2AMCHR1
SCHEMBL21770490 0.86 MAPT (0.36) MAPTTSHRPPARGCHRM1HTR2A
SCHEMBL15014122 0.80 ADRA2A (0.50) TSHRALDH1A1CYP3A4MAPK1TDP1
SCHEMBL6856568 0.79 CYP4F2 (0.49) CYP3A4L3MBTL1MMP14LTA4H
SCHEMBL20005167 0.78 MAPT (0.41) MAPTTSHRALDH1A1CYP3A4MAPK1
SCHEMBL19822987 0.77 MMP14 (0.42) MAPTTSHRALDH1A1MAPK1TDP1
SCHEMBL165131 0.77 ALDH1A1 (0.64) MAPTTSHRALDH1A1CYP3A4MAPK1
SCHEMBL11310810 0.77 TSHR (0.44) TSHRALDH1A1CYP3A4MAPK1TDP1
SCHEMBL8499036 0.76 THRA (0.46) MAPTALDH1A1CYP3A4CHRM1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2018848-B2 Hair composition comprising at least one fluorescent dye and at least one alkali hydroxide agent and method of simultaneous styling, dyeing and/or lightening. ORÉAL L (FR) 2016-08-31 — — EP disclosed
US-8784775-B2 Compounds for use in imaging, diagnosing and/or treatment of diseases of the central nervous system or of tumors PIRAMAL IMAGING SA (CH) 2014-07-22 — — US disclosed
US-7601180-B2 Use for the dyeing with lightening effect of keratin substances of a composition comprising a fluorescent cyanine dye L'OREAL S.A. (FR) 2009-10-13 — — US disclosed
US-7601180-B2 Use for the dyeing with lightening effect of keratin substances of a composition comprising a fluorescent cyanine dye L'OREAL S.A. (FR) 2009-10-13 — — US disclosed
US-20090049621-A1 USE FOR THE DYEING WITH LIGHTENING EFFECT OF KERATIN SUBSTANCES OF A COMPOSITION COMPRISING A FLUORESCENT CYANINE DYE L'OREAL S.A. (FR) 2009-02-26 — — US disclosed
US-20090049621-A1 USE FOR THE DYEING WITH LIGHTENING EFFECT OF KERATIN SUBSTANCES OF A COMPOSITION COMPRISING A FLUORESCENT CYANINE DYE L'OREAL S.A. (FR) 2009-02-26 — — US disclosed
EP-2018848-A2 Hair composition comprising at least one fluorescent dye and at least one alkali hydroxide agent and method of simultaneous styling, dyeing and/or lightening. L'Oreal (FR) 2009-01-28 — — EP 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-20090049621-A1 USE FOR THE DYEING WITH LIGHTENING EFFECT OF KERATIN SUBSTANCES OF A COMPOSITION COMPRISING A FLUORESCENT CYANINE DYE KRT18, S100A4, S100P MAPT 220/4885TSHR 3685/4885ALDH1A1 1895/4885

“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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