SCHEMBL7172971

SCHEMBL7172971

OCCCc1ccc(-c2cc3ccccn3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
ALDH1A1 P00352 2/20 0.51
POLB P06746 2/20 0.51
MAPT P10636 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HRH3 Q9Y5N1 4/20 0.46
LTA4H P09960 1/20 0.38
EPHX2 P34913 1/20 0.38
NR1H2 P55055 1/20 0.36
CA2 P00918 1/20 0.34
HDAC2 Q92769 2/20 0.33
METTL3 Q86U44 1/20 0.33
METTL14 Q9HCE5 1/20 0.33
HDAC1 Q13547 1/20 0.33
CYP4A11 Q02928 1/20 0.33

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
SCHEMBL7169172 0.91 MAPT (0.54) NPC1ALDH1A1POLBMAPTRAB9A
SCHEMBL27923079 0.78 ALDH1A1 (0.57) NPC1ALDH1A1POLBMAPTRAB9A
SCHEMBL1849445 0.76 RAB9A (0.62) NPC1ALDH1A1POLBMAPTRAB9A
SCHEMBL942764 0.75 ALDH1A1 (0.65) NPC1ALDH1A1POLBMAPTRAB9A
SCHEMBL7069544 0.74 ALOX15 (0.39) POLBLTA4HEPHX2CA2CYP4A11
SCHEMBL81999 0.73 LTA4H (0.56) SMN1; SMN2LTA4HEPHX2CA2HDAC2
SCHEMBL8623391 0.73 LTA4H (0.56) SMN1; SMN2LTA4HEPHX2CA2HDAC2
SCHEMBL3535251 0.73 CA2 (0.54) ALDH1A1MAPTMEN1KMT2AHRH3
SCHEMBL1853028 0.73 ALDH1A1 (0.62) NPC1ALDH1A1POLBMAPTRAB9A
SCHEMBL873426 0.73 ALDH1A1 (0.62) NPC1ALDH1A1POLBMAPTRAB9A

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-6572664-B2 Oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2003-06-03 US claimed
US-20020170121-A9 Indolizine derivatives, compositions comprising at least one coupler chosen from indolizine derivatives and at least one oxidation base, and methods for using same L'OREAL S.A. (FR) 2002-11-21 US claimed
US-20020002749-A1 Indolizine derivatives, compositions comprising at least one coupler chosen from indolizine derivatives and at least one oxidation base, and methods for using same BRETON PHILIPPE (FR) 2002-01-10 US claimed
EP-1129691-A2 Compositions for dyeing keratinous fibers containing indolizine derivatives and dyeing method using same L'OREAL (FR) 2001-09-05 EP claimed
US-6572664-B2 Oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2003-06-03 US disclosed
US-20020170121-A9 Indolizine derivatives, compositions comprising at least one coupler chosen from indolizine derivatives and at least one oxidation base, and methods for using same L'OREAL S.A. (FR) 2002-11-21 US disclosed
US-20020002749-A1 Indolizine derivatives, compositions comprising at least one coupler chosen from indolizine derivatives and at least one oxidation base, and methods for using same BRETON PHILIPPE (FR) 2002-01-10 US disclosed
EP-1129691-A2 Compositions for dyeing keratinous fibers containing indolizine derivatives and dyeing method using same L'OREAL (FR) 2001-09-05 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 (2 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-20020002749-A1 Indolizine derivatives, compositions comprising at least one coupler chosen from indolizine derivatives and at least one oxidation base, and methods for using same KRT18, INMT, IDO1 NPC1 4832/4885ALDH1A1 897/4885POLB 833/4885
US-20020170121-A9 Indolizine derivatives, compositions comprising at least one coupler chosen from indolizine derivatives and at least one oxidation base, and methods for using same KRT18, INMT, IDO1 NPC1 4832/4885ALDH1A1 897/4885POLB 833/4885

“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.