SCHEMBL6905688

SCHEMBL6905688

CCC(C)c1cccc([N+](=O)[O-])c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.56
TDP1 Q9NUW8 5/20 0.54
CYP1A2 P05177 4/20 0.54
MAPT P10636 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
GLA P06280 1/20 0.54
POLB P06746 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
RECQL P46063 1/20 0.54
TSHR P16473 3/20 0.49
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 3/20 0.46
ERN1 O75460 1/20 0.46
GRM8 O00222 1/20 0.44
GRM4 Q14833 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL27455401 0.84 TSHR (0.68) GPR35TDP1CYP1A2MAPTMEN1
SCHEMBL6680488 0.83 ALDH1A1 (0.50) TDP1CYP1A2MAPTMEN1KMT2A
SCHEMBL102131 0.83 GPR35 (0.64) GPR35TDP1CYP1A2MAPTMEN1
SCHEMBL18867119 0.81 TDP1 (0.47) GPR35TDP1CYP1A2MAPTMEN1
SCHEMBL2012619 0.79 TDP1 (0.43) GPR35TDP1CYP1A2MAPTMEN1
SCHEMBL1938443 0.79 TDP1 (0.43) GPR35TDP1CYP1A2MAPTCYP2C9
SCHEMBL30679179 0.79 TDP1 (0.43) GPR35TDP1CYP1A2MAPTMEN1
SCHEMBL561299 0.78 TSHR (0.68) CYP1A2POLBCYP3A4TSHRALDH1A1
SCHEMBL560318 0.78 TSHR (0.68) CYP1A2POLBCYP3A4TSHRALDH1A1
SCHEMBL560346 0.78 TSHR (0.68) CYP1A2POLBCYP3A4TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116715564-A Styrene green polymerization inhibitor and preparation method thereof 江苏太湖新材料控股有限公司 2023-09-08 CN disclosed
CN-110015961-A Method for preparing 2, 4-dinitro-6-sec-butyl phenol by using waste nitric acid nitration 大连理工大学 2019-07-16 CN disclosed
CN-101048414-B Fused tricyclic derivatives for the treatment of psychotic disorders GLAXO GROUP LTD 2011-09-07 CN disclosed
CN-101048414-A Fused tricyclic derivatives for the treatment of psychotic disorders GLAXO GROUP LTD (GB) 2007-10-03 CN disclosed
US-20040181104-A1 Catalyst and process for alkyl group dehydrogenation of organic compounds ABB LUMMUS GLOBAL INC. 2004-09-16 US disclosed
EP-0991733-A1 MIXTURE OF SUBSTANCES CONTAINING COMPOUNDS WITH VINYL GROUPS AND STABILIZERS BASF AKTIENGESELLSCHAFT (DE) 2000-04-12 EP disclosed
EP-0931064-A1 STABILISED MONOMER COMPOSITION BASF AKTIENGESELLSCHAFT (DE) 1999-07-28 EP disclosed
EP-0906257-A1 MIXTURES CONTAINING MONOMERS AND STABILIZERS BASF AKTIENGESELLSCHAFT (DE) 1999-04-07 EP disclosed
EP-0885180-A1 STABILIZED MONOMER COMPOSITION BASF AKTIENGESELLSCHAFT (DE) 1998-12-23 EP disclosed
WO-1998058038-A1 MIXTURE OF SUBSTANCES CONTAINING COMPOUNDS WITH VINYL GROUPS AND STABILIZERS BASF AKTIENGESELLSCHAFT (DE) 1998-12-23 WO disclosed
WO-1998013346-A1 STABILISED MONOMER COMPOSITION BASF AKTIENGESELLSCHAFT (DE) 1998-04-02 WO disclosed
WO-1997046504-A1 MIXTURES CONTAINING MONOMERS AND STABILIZERS BASF AKTIENGESELLSCHAFT (DE) 1997-12-11 WO disclosed
WO-1997032833-A1 STABILIZED MONOMER COMPOSITION BASF AKTIENGESELLSCHAFT (DE) 1997-09-12 WO disclosed
US-4208513-A Benzoxazolyl-phenylstilbenes, processes for producing them, and their use as optical brighteners CIBA-GEIGY CORPORATION (US) 1980-06-17 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 (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-20040181104-A1 Catalyst and process for alkyl group dehydrogenation of organic compounds MCM4, AOC2, IDH2 GPR35 4762/4885TDP1 3582/4885CYP1A2 619/4885

“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.