SCHEMBL13645984

SCHEMBL13645984

CN(CCCCN(C)c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.48
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46
PPARG P37231 1/20 0.45
AOC3 Q16853 1/20 0.45
BCHE P06276 1/20 0.43
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR7 P34969 1/20 0.42

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
SCHEMBL17037834 0.97 SIGMAR1 (0.52) SIGMAR1CA12CA2CA9TAAR1
SCHEMBL11145951 0.95 CA12 (0.47) SIGMAR1CA12CA2CA9TAAR1
SCHEMBL94623 0.91 NPC1 (0.49) SIGMAR1CA12CA2CA9
SCHEMBL11044440 0.89 CA12 (0.50) SIGMAR1CA12CA2CA9TAAR1
SCHEMBL23504507 0.89 SIGMAR1 (0.46) SIGMAR1CA12CA2CA9TAAR1
SCHEMBL6501802 0.89 NPC1 (0.51) SIGMAR1
SCHEMBL94910 0.89 NPC1 (0.51) SIGMAR1
SCHEMBL21916561 0.89 NPC1 (0.51) SIGMAR1
SCHEMBL10490549 0.89 NPC1 (0.51) SIGMAR1
SCHEMBL21337225 0.89 NPC1 (0.51) SIGMAR1

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-11034796-B1 Poly(arylamine)s and uses thereof CORNELL UNIVERSITY (US) 2021-06-15 US disclosed
US-11034796-B1 Poly(arylamine)s and uses thereof CORNELL UNIVERSITY (US) 2021-06-15 US disclosed
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-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 SIGMAR1 3481/4885CA12 1125/4885CA2 2587/4885

“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.