SCHEMBL744752

SCHEMBL744752

COc1cncc(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.61
CYP1B1 Q16678 2/20 0.61
ALDH1A1 P00352 1/20 0.59
CYP11B1 P15538 4/20 0.52
CYP11B2 P19099 4/20 0.52
MKNK2 Q9HBH9 2/20 0.52
ROCK2 O75116 1/20 0.52
MAP4K4 O95819 1/20 0.52
PRKACA P17612 1/20 0.52
ROCK1 Q13464 1/20 0.52
DYRK1A Q13627 1/20 0.52
NTRK3 Q16288 1/20 0.52
PKN2 Q16513 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
STK17A Q9UEE5 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46

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
Cyanide SCHEMBL28250393 0.92 CYP1A1 (0.54) CYP1A1CYP1B1ALDH1A1CYP11B1CYP11B2
SCHEMBL5702666 0.86 CYP1A1 (0.74) CYP1A1CYP1B1CYP11B1CYP11B2MKNK2
SCHEMBL1863295 0.85 CYP1A1 (0.48) CYP1A1CYP1B1ALDH1A1CYP11B1CYP11B2
SCHEMBL18893667 0.85 CYP1A1 (0.48) CYP1A1CYP1B1ALDH1A1CYP11B1CYP11B2
SCHEMBL29465753 0.84
SCHEMBL91463 0.84
SCHEMBL10781062 0.83 CYP11B1 (0.58) CYP1A1CYP1B1ALDH1A1CYP11B1CYP11B2
SCHEMBL12925127 0.83 CYP1A1 (0.47) CYP1A1CYP1B1ALDH1A1CYP11B1CYP11B2
SCHEMBL14805696 0.83 CYP1A1 (0.47) CYP1A1CYP1B1ALDH1A1CYP11B1CYP11B2
SCHEMBL11999815 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119569648-A Novel energetic compound and preparation method thereof 信阳师范学院 2025-03-07 CN claimed
CN-115960411-A Wire irradiation material and preparation method thereof 江苏火凤凰线缆系统技术股份有限公司 2023-04-14 CN claimed
CN-109293538-B Preparation method of aryl sulfone compound, catalyst used for extraction and extraction method of aryl sulfone compound 温州大学 2020-12-08 CN claimed
CN-109836446-A A kind of pyridine alkynes precursor and its synthetic method 重庆大学 2019-06-04 CN claimed
CN-109293538-A A kind of preparation method of aromatic sulphones compounds and the extracting method for extracting used catalyst and aromatic sulphones compounds 温州大学 2019-02-01 CN claimed
CN-108291306-A Plating bath composition and method for electroless plating of palladium 埃托特克德国有限公司 2018-07-17 CN claimed
EP-4737514-A1 RUBBER COMPOSITION AND TIRE Sumitomo Rubber Industries, Ltd. (JP) 2026-05-06 EP disclosed
US-20250214977-A1 STAT6 INHIBITORS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2025-07-03 US disclosed
CN-119569648-A Novel energetic compound and preparation method thereof 信阳师范学院 2025-03-07 CN disclosed
WO-2023220741-A1 ALPHA 4 BETA 7 INTEGRIN MODULATORS AND USES THEREOF DICE MOLECULES SV, INC. (US) 2023-11-16 WO disclosed
CN-116891468-A Thiazole compound and application thereof 南京再明医药有限公司 2023-10-17 CN disclosed
US-20230234925-A1 GPR52 MODULATORS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2023-07-27 US disclosed
US-20230203214-A1 AZACOUMARIN AND AZATHIOCOUMARIN DERIVATIVES FOR USE IN OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2023-06-29 US disclosed
CN-1077792-C Pyridyl bisphosphonates for use as therapeutic agents LEIRAS OY (FI) 2002-01-16 CN disclosed
EP-1120409-A1 2,3-DISUBSTITUTED PYRIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, DRUG COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES FOR THE PREPARATION Dainippon Pharmaceutical Co., Ltd. (JP) 2001-08-01 EP disclosed
CN-1149830-A Pyridylbisphosphonates for use as therapeutical agent LEIRAS OY (FI) 1997-05-14 CN disclosed
EP-0746336-A1 PRODRUGS ACTIVATED BY TARGETED CATALYTIC PROTEINS IGEN, INC. (US) 1996-12-11 EP disclosed
EP-0746336-A4 PRODRUGS ACTIVATED BY TARGETED CATALYTIC PROTEINS IGEN INC (US) 1996-07-26 EP disclosed
WO-1993002703-A1 PRODRUGS ACTIVATED BY TARGETED CATALYTIC PROTEINS IGEN, INC. (US) 1993-02-18 WO disclosed
US-4713080-A OXIDATIVE COLORING WELLA AKTIENGESELLSCHAFT (DE) 1987-12-15 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-20230234925-A1 GPR52 MODULATORS AND METHODS OF USE GPR52, GPR68, GPR35 CYP1A1 2102/4885CYP1B1 2384/4885ALDH1A1 1831/4885
US-20250214977-A1 STAT6 INHIBITORS AND USES THEREOF STAT6, STAT5B, STAT5A CYP1A1 4562/4885CYP1B1 3897/4885ALDH1A1 3523/4885

“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.