SCHEMBL5708790

SCHEMBL5708790

CC(=O)NNc1cccc(O)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.69
CYP1A2 P05177 1/20 0.69
CYP3A4 P08684 3/20 0.64
TSHR P16473 2/20 0.64
ALOX5 P09917 1/20 0.64
GAA P10253 1/20 0.52
NLRP3 Q96P20 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 3/20 0.47
TP53 P04637 3/20 0.47
RAB9A P51151 3/20 0.47
HSD17B10 Q99714 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 2/20 0.47
RAPGEF4 Q8WZA2 1/20 0.46
HTT P42858 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL8648511 0.82 GAA (0.76) ALDH1A1CYP3A4TSHRALOX5GAA
Metacetamol SCHEMBL181254 0.82 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP3A4TSHRNLRP3
Metacetamol SCHEMBL31195432 0.82 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP3A4TSHRNLRP3
SCHEMBL28032785 0.81 CYP3A4 (0.60) ALDH1A1CYP1A2CYP3A4TSHRALOX5
SCHEMBL26105067 0.80 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP3A4TSHRGAA
SCHEMBL9525972 0.79 GAA (0.54) ALDH1A1CYP1A2ALOX5GAANLRP3
SCHEMBL27625271 0.79 CYP3A4 (0.63) ALDH1A1CYP3A4TSHRALOX5KMT2A
SCHEMBL588131 0.79 ALOX5 (1.00) ALDH1A1CYP3A4TSHRALOX5GAA
SCHEMBL425872 0.79 ALOX5 (1.00) ALDH1A1CYP3A4TSHRALOX5GAA
SCHEMBL28010783 0.78 MTNR1A (0.60) ALDH1A1CYP3A4TSHRALOX5NLRP3

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
CN-103622842-B Delivery of particles 宝洁公司 2017-10-27 CN disclosed
WO-2017109132-A1 PROCESS USING A COMPOSITION COMPRISING A NEUTRALIZED FATTY ACID, AND A PARTICULAR CLAY L'OREAL (FR) 2017-06-29 WO disclosed
CN-102858944-B Delivery of particles 宝洁公司 2016-08-24 CN disclosed
EP-1328244-B1 AGENT AND METHOD FOR COLOURING KERATIN FIBRES WELLA AG (DE) 2006-10-11 EP disclosed
US-6773463-B2 A MIXTURE OF A 4-NITRO-2,1,3-BENZOXADIAZOLE, A 4-NITRO-2,1,3-BENZOTHIADIAZOLE, OR A 4-NITRO-2,1,3-BENZO-SELENADIAZOLE AND AT LEAST ONE AMINE, PHENOL, OR AMINONITROBENZENE; INTENSE COLORATIONS; MILD CONDITIONS; DIRECT HAIR DYE WELLA AKTIENGESELLSCHAFT (DE) 2004-08-10 US disclosed
EP-1328244-A1 AGENT AND METHOD FOR COLOURING KERATIN FIBRES Wella Aktiengesellschaft (DE) 2003-07-23 EP disclosed
US-20030070239-A1 Agent and method for dyeing keratin fibers HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-04-17 US disclosed
WO-2002022093-A1 AGENT AND METHOD FOR COLOURING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2002-03-21 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-20030070239-A1 Agent and method for dyeing keratin fibers KRT18, AOC1, S100B ALDH1A1 87/4885CYP1A2 1003/4885CYP3A4 3005/4885

“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.