SCHEMBL7530175

SCHEMBL7530175

Cc1cc(N)ccc1N(CCO)CCO.Nc1ccc(N(CCO)CCO)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
TDP1 Q9NUW8 4/20 0.42
MAPK1 P28482 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
TSHR P16473 3/20 0.42
CYP3A4 P08684 3/20 0.42
PSMD14 O00487 2/20 0.42
RECQL P46063 1/20 0.42
GFER P55789 1/20 0.42
MAPT P10636 5/20 0.38
KMT2A Q03164 5/20 0.38
LMNA P02545 4/20 0.38
MEN1 O00255 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL855950 0.92 PDE10A (0.44) ALDH1A1TDP1MAPK1L3MBTL1TSHR
SCHEMBL6565275 0.84 ALDH1A1 (0.40) ALDH1A1TDP1MAPK1L3MBTL1TSHR
SCHEMBL4605008 0.84 ALDH1A1 (0.44) ALDH1A1TDP1MAPK1L3MBTL1TSHR
SCHEMBL29564357 0.84 ALDH1A1 (0.40) ALDH1A1TDP1MAPK1L3MBTL1TSHR
SCHEMBL8521178 0.81 ALDH1A1 (0.54) ALDH1A1TDP1MAPK1L3MBTL1TSHR
SCHEMBL33874 0.81 ALDH1A1 (0.54) ALDH1A1TDP1MAPK1L3MBTL1TSHR
SCHEMBL28087334 0.81 ALDH1A1 (0.54) ALDH1A1TDP1MAPK1L3MBTL1TSHR
SCHEMBL33796 0.79 ALDH1A1 (0.52) ALDH1A1TDP1MAPK1L3MBTL1TSHR
Water SCHEMBL3359653 0.79 ALDH1A1 (0.52) ALDH1A1TDP1MAPK1L3MBTL1TSHR
Hydrochloric Acid SCHEMBL7714474 0.79 ALDH1A1 (0.52) ALDH1A1TDP1MAPK1L3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020170123-A9 Oxidizing composition and uses for dyeing, for permanently reshaping or for bleaching keratin fibres L'OREAL S.A. 2002-11-21 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-20020170123-A9 Oxidizing composition and uses for dyeing, for permanently reshaping or for bleaching keratin fibres KRT18, ALDH7A1, ALAD ALDH1A1 295/4885TDP1 1524/4885MAPK1 2921/4885

“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.