SCHEMBL7719476

SCHEMBL7719476

O=[N+]([O-])c1cc(CF)ccc1NCC(O)CO

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 3/20 0.42
KAT2B Q92831 1/20 0.41
GLA P06280 1/20 0.41
PKM P14618 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HCAR3 P49019 3/20 0.39
PRSS1 P07477 2/20 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
SCHEMBL10896768 0.82 MAPT (0.45) TDP1ALDH1A1TSHRMAPTGLA
SCHEMBL8655505 0.81 KAT2B (0.56) TDP1ALDH1A1TSHRMAPTKAT2B
SCHEMBL1741987 0.81 ALDH1A1 (0.54) TDP1ALDH1A1MAPTPKMKMT2A
SCHEMBL1889528 0.81 PKM (0.45) TDP1ALDH1A1TSHRMAPTGLA
SCHEMBL4845008 0.81 ALDH1A1 (0.63) TDP1ALDH1A1TSHRMAPTKAT2B
SCHEMBL29516649 0.81 KMT2A (0.62) ALDH1A1MAPTPKMKMT2AMEN1
SCHEMBL9776320 0.81 ALDH1A1 (0.53) TDP1ALDH1A1TSHRMAPTGLA
SCHEMBL108993 0.81 KMT2A (0.62) ALDH1A1MAPTPKMKMT2AMEN1
SCHEMBL11772632 0.79 HTT (0.49) TDP1ALDH1A1TSHRMAPTKAT2B
SCHEMBL8748875 0.79 ALDH1A1 (0.71) TDP1ALDH1A1TSHRMAPTGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9504637-B2 Coloring agents and methods of use thereof LIVING PROOF, INC. (US) 2016-11-29 US disclosed
US-20160106648-A1 COLORING AGENTS AND METHODS OF USE THEREOF LIVING PROOF, INC. (US) 2016-04-21 US disclosed
US-9248086-B2 Coloring agents and methods of use thereof LIVING PROOF, INC. (US) 2016-02-02 US disclosed
US-20150174026-A1 COLORING AGENTS AND METHODS OF USE THEREOF LIVING PROOF, INC. 2015-06-25 US disclosed
US-6379400-B1 DYEING FIBERS, SOLVENT OF WATER OR ALCOHOL AND NITROANILINE DYE WELLA AKTIENGESELLSCHAFT (DE) 2002-04-30 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 (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-20160106648-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 TDP1 841/4885ALDH1A1 192/4885TSHR 4752/4885
US-20150174026-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 TDP1 841/4885ALDH1A1 192/4885TSHR 4752/4885

“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.