SCHEMBL15039277

SCHEMBL15039277

CCN(CCO)C1=CC(=O)C(Nc2ccc(N)c(C)c2)=CC1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ THRB P10828 2/20 0.39
▸ RECQL P46063 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ S100B P04271 1/20 0.38
▸ DNM1 Q05193 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TSHR P16473 1/20 0.30

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
SCHEMBL15039275 0.87 ALDH1A1 (0.42) ALDH1A1THRBRECQLCYP3A4ALOX15
SCHEMBL15020967 0.86 MAPT (0.33) ALDH1A1THRBRECQLCYP3A4TDP1
SCHEMBL15020510 0.85 DNM1 (0.41) ALDH1A1THRBRECQLCYP3A4TDP1
SCHEMBL15039273 0.83 S100B (0.31) S100B
SCHEMBL15020301 0.81 DNM1 (0.56) ALDH1A1THRBRECQLTDP1DNM1
SCHEMBL15039427 0.81 DNM1 (0.42) ALDH1A1THRBRECQLTDP1DNM1
SCHEMBL15020267 0.81 — —
SCHEMBL15039426 0.80 DNM1 (0.37) ALDH1A1THRBRECQLCYP3A4HIF1A
SCHEMBL17751331 0.79 — —
SCHEMBL15020242 0.79 KDR (0.34) ALDH1A1CYP3A4MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2791106-B1 PARTICULAR QUINONE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEROF OREAL (FR) 2016-05-18 — — EP claimed
EP-2791106-B1 PARTICULAR QUINONE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEROF OREAL (FR) 2016-05-18 — — EP disclosed
EP-2791106-B1 PARTICULAR QUINONE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEROF OREAL (FR) 2016-05-18 — — EP disclosed
US-9233057-B2 Particular quinone direct dyes, dye composition comprising at least one such dye, implementation process therefor and use thereof L'OREAL (FR) 2016-01-12 — — US disclosed
US-20140360523-A1 PARTICULAR QUINONE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF L'OREAL (FR) 2014-12-11 — — US disclosed
WO-2013087770-A1 PARTICULAR QUINONE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF L'OREAL (FR) 2013-06-20 — — WO 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-20140360523-A1 PARTICULAR QUINONE DIRECT DYES, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH DYE, IMPLEMENTATION PROCESS THEREFOR AND USE THEREOF KRT18, SQOR, NDUFB7 ALDH1A1 330/4885THRB 3444/4885RECQL 1093/4885

“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.

Send feedback