SCHEMBL68980

SCHEMBL68980

O=[N+]([O-])c1ccc(O)cc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.67
NPSR1 Q6W5P4 2/20 0.54
RXFP1 Q9HBX9 1/20 0.54
BACE1 P56817 1/20 0.51
MAPT P10636 4/20 0.50
ALDH1A1 P00352 4/20 0.50
HPGD P15428 3/20 0.50
TSHR P16473 3/20 0.50
TP53 P04637 2/20 0.50
MAPK1 P28482 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP3A4 P08684 2/20 0.50
HSD17B10 Q99714 2/20 0.50
EGFR P00533 2/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
RECQL P46063 1/20 0.50

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
SCHEMBL29479746 1.00 GPR35 (0.67) GPR35NPSR1RXFP1BACE1MAPT
Hydrochloric Acid SCHEMBL27548476 0.98 GPR35 (0.64) GPR35NPSR1RXFP1BACE1MAPT
Methoxymethane SCHEMBL11671269 0.92 GPR35 (0.58) GPR35NPSR1RXFP1BACE1MAPT
Formic Acid SCHEMBL28313287 0.92 GPR35 (0.58) GPR35NPSR1RXFP1BACE1MAPT
Acetic Acid SCHEMBL9635628 0.90 GPR35 (0.56) GPR35NPSR1RXFP1BACE1MAPT
Acetic Acid SCHEMBL9635583 0.90 GPR35 (0.56) GPR35NPSR1RXFP1BACE1MAPT
SCHEMBL10920082 0.89 GPR35 (0.55) GPR35NPSR1RXFP1BACE1MAPT
SCHEMBL9499320 0.87 GPR35 (0.62) GPR35NPSR1RXFP1BACE1MAPT
SCHEMBL213758 0.84 TSHR (0.56) GPR35NPSR1RXFP1BACE1ALDH1A1
SCHEMBL29577003 0.84 TSHR (0.56) GPR35NPSR1RXFP1BACE1ALDH1A1

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 181 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119286539-B Liquid crystal aligning agent and method for preparing high-hardness polyimide liquid crystal alignment film by using same 山东齐氟新材料有限公司 2025-03-21 CN claimed
CN-119674259-A Modification method for improving needling safety of sodium-oxygen-ion battery 江苏传艺钠电科技有限公司 2025-03-21 CN claimed
CN-119286539-A Liquid crystal aligning agent and method for preparing high-hardness polyimide liquid crystal alignment film by using same 山东齐氟新材料有限公司 2025-01-10 CN claimed
CN-115784943-B Method for improving preparation selectivity of 2-sulfo-4, 6-dinitroresorcinol 中石化南京化工研究院有限公司 2024-06-14 CN claimed
CN-115784943-A Method for improving preparation selectivity of 2-sulfonic-4, 6-dinitroresorcinol 中石化南京化工研究院有限公司 2023-03-14 CN claimed
US-20120296123-A1 FLUOROETHER-FUNCTIONALIZED NITROAROMATIC COMPOUNDS AND DERIVATIVES THEREOF E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-11-22 US claimed
US-20120296122-A1 FLUOROETHER-FUNCTIONALIZED AMINOAROMATIC COMPOUNDS AND DERIVATIVES THEREOF E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-11-22 US claimed
WO-2012158303-A2 FLUOROETHER-FUNCTIONALIZED AMINOAROMATIC COMPOUNDS AND DERIVATIVES THEREOF E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-11-22 WO claimed
WO-2012158302-A2 FLUOROETHER-FUNCTIONALIZED NITROAROMATIC COMPOUNDS AND DERIVATIVES THEREOF E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-11-22 WO claimed
CN-1703395-A Aryl and heteroaryl compounds and methods of modulating blood coagulation TRANSTECH PHARMA INC (US) 2005-11-30 CN claimed
WO-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 WO claimed
EP-0312931-B1 PROCESS FOR THE PREPARATION OF AMINO-1,3 BENZENEDIOL THE DOW CHEMICAL COMPANY (US) 1993-04-21 EP claimed
EP-0296221-B1 PROCESS FOR PREPARING 4,6-DINITRORESORCINOL THE DOW CHEMICAL COMPANY (US) 1992-05-13 EP claimed
US-4982001-A Process for the preparation of amino-1,3-benzenediol THE DOW CHEMICAL COMPANY (US) 1991-01-01 US claimed
EP-0312931-A2 Process for the preparation of amino-1,3 benzenediol THE DOW CHEMICAL COMPANY (US) 1989-04-26 EP claimed
EP-0296221-A4 PROCESS FOR PREPARING 4,6-DINITRORESORCINOL. STANFORD RES INST INT (US) 1989-04-24 EP claimed
EP-0296221-A1 PROCESS FOR PREPARING 4,6-DINITRORESORCINOL. STANFORD RES INST INT (US) 1988-12-28 EP claimed
WO-1988005038-A1 PROCESS FOR PREPARING 4,6-DINITRORESORCINOL SRI INTERNATIONAL (US) 1988-07-14 WO claimed
US-4745232-A NITRATION, PRECIPITATION SRI INTERNATIONAL (US) 1988-05-17 US claimed
EP-0010451-A1 Process for the delignification of lignocellulosic material and products thereof C.I.L. Inc. (CA) 1980-04-30 EP claimed

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-20120296123-A1 FLUOROETHER-FUNCTIONALIZED NITROAROMATIC COMPOUNDS AND DERIVATIVES THEREOF PFAS, PARG, PARN GPR35 3412/4885NPSR1 802/4885RXFP1 3532/4885
US-20120296122-A1 FLUOROETHER-FUNCTIONALIZED AMINOAROMATIC COMPOUNDS AND DERIVATIVES THEREOF PARG, PARN, AADAC GPR35 3445/4885NPSR1 1747/4885RXFP1 3831/4885

“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.