SCHEMBL4595029

SCHEMBL4595029

Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c(C)c1C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.50
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
CYP1A2 P05177 1/20 0.47
CCR6 P51684 1/20 0.43
GPR35 Q9HC97 3/20 0.42
CYP3A4 P08684 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GALR3 O60755 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RECQL P46063 1/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL11282319 0.87 GPR35 (0.53) TSHRALDH1A1TDP1CYP1A2GPR35
SCHEMBL3304363 0.84 TSHR (0.57) TSHRALDH1A1TDP1CYP1A2CCR6
SCHEMBL29029703 0.79 ALDH1A1 (0.42) TSHRALDH1A1TDP1CYP1A2GPR35
SCHEMBL29197552 0.79 CYP1A2 (0.49) TSHRALDH1A1TDP1CYP1A2CCR6
SCHEMBL25786786 0.79 CYP1A2 (0.56) TSHRALDH1A1TDP1CYP1A2CCR6
SCHEMBL10385745 0.78 GPR35 (0.52) TSHRALDH1A1TDP1CYP1A2CCR6
SCHEMBL15828732 0.75 CYP1A2 (0.53) TSHRALDH1A1TDP1CYP1A2CCR6
SCHEMBL17374949 0.75 TDP1 (0.47) TSHRALDH1A1TDP1GPR35CYP3A4
SCHEMBL2519558 0.75 TSHR (0.55) TSHRALDH1A1TDP1CYP1A2CCR6
SCHEMBL4926322 0.74 KMT2A (0.52) TSHRALDH1A1TDP1CYP1A2GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998056337-A1 MALODOR REDUCING COMPOSITION CONTAINING AMBER AND MUSK MATERIALS THE PROCTER & GAMBLE COMPANY (US) 1998-12-17 WO claimed
EP-1238649-B1 Hair dye compositions comprising acidic dyes and lactones KAO CORP (JP) 2008-01-09 EP disclosed
CN-1221241-C Tint composition KAO CORP (JP) 2005-10-05 CN disclosed
US-6776803-B2 Hair dye compositions KAO CORPORATION (JP) 2004-08-17 US disclosed
US-20030066141-A1 Hair dye compositions KAO CORPORATION (JP) 2003-04-10 US disclosed
CN-1370517-A Tint composition KAO CORP (JP) 2002-09-25 CN disclosed
EP-1238649-A2 Hair dye compositions Kao Corporation (JP) 2002-09-11 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 (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-20030066141-A1 Hair dye compositions HAAO, SRD5A1, GLA TSHR 4307/4885ALDH1A1 661/4885TDP1 4147/4885

“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.