SCHEMBL7047647

SCHEMBL7047647

COc1cc(C=Cc2ccncc2)cc(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 8/20 1.00
CYP1B1 Q16678 8/20 1.00
CYP1A2 P05177 5/20 1.00
KDM4E B2RXH2 2/20 0.71
NPC1 O15118 2/20 0.71
RAB9A P51151 2/20 0.71
CYP2D6 P10635 2/20 0.71
HPGD P15428 2/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2C9 P11712 1/20 0.71
CYP2C19 P33261 1/20 0.71
ROCK2 O75116 1/20 0.71
MAP4K4 O95819 1/20 0.71
PRKACA P17612 1/20 0.71
ROCK1 Q13464 1/20 0.71
DYRK1A Q13627 1/20 0.71
NTRK3 Q16288 1/20 0.71
PKN2 Q16513 1/20 0.71
CLK4 Q9HAZ1 1/20 0.71

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
SCHEMBL7047642 1.00 CYP1A1 (1.00) CYP1A1CYP1B1CYP1A2KDM4ENPC1
SCHEMBL9605438 0.89 CYP1A1 (0.80) CYP1A1CYP1B1CYP1A2KDM4ENPC1
SCHEMBL22594971 0.84 CYP1A1 (0.71) CYP1A1CYP1B1CYP1A2KDM4ENPC1
SCHEMBL8050491 0.83 CYP1A2 (1.00) CYP1A1CYP1B1CYP1A2KDM4ENPC1
SCHEMBL8046590 0.83 CYP1A2 (1.00) CYP1A1CYP1B1CYP1A2KDM4ENPC1
SCHEMBL6833668 0.83 ROCK2 (1.00) CYP1A1CYP1B1CYP1A2KDM4ENPC1
SCHEMBL1743365 0.82 CYP1A1 (1.00) CYP1A1CYP1B1CYP1A2KDM4ENPC1
SCHEMBL1743363 0.82 CYP1A1 (1.00) CYP1A1CYP1B1CYP1A2KDM4ENPC1
SCHEMBL22009168 0.82 CYP1A1 (0.69) CYP1A1CYP1B1CYP1A2KDM4ENPC1
Trismethoxyresveratrol SCHEMBL918739 0.81 CYP1A1 (1.00) CYP1A1CYP1B1CYP1A2KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116287445-A Rapid identification kit for duck coronavirus and Muscovy duck parvovirus and detection method thereof 北京森康生物技术开发有限公司 2023-06-23 CN claimed
CN-113986906-A Track reconstruction method based on situation target 中国人民解放军国防科技大学 2022-01-28 CN claimed
US-20250262347-A1 BONE REPAIR COMPOSITIONS COMPRISING POLYTHIOURETHANE AND USES THEREOF SMITH & NEPHEW INC (US) 2025-08-21 US disclosed
US-20250111889-A1 DE NOVO DESIGNED MACROCYCLIC OLIGOAMIDES UNIVERSITY OF WASHINGTON 2025-04-03 US disclosed
CN-119598202-A Data augmentation method and system based on attractors 中山大学 2025-03-11 CN disclosed
EP-4511077-A1 BONE REPAIR COMPOSITIONS COMPRISING POLYTHIOURETHANE AND USES THEREOF Smith&Nephew, Inc. (US) 2025-02-26 EP disclosed
CN-112651445-B Biological information identification method and device based on deep network multi-mode information fusion 广州中医药大学(广州中医药研究院) 2025-01-03 CN disclosed
EP-4399095-A1 SELECTIVE PARTICLE ENTRAPMENT AND APPLICATIONS THEREOF University of Maine System Board of Trustees (US) 2024-07-17 EP disclosed
WO-2023205141-A1 BONE REPAIR COMPOSITIONS COMPRISING POLYTHIOURETHANE AND USES THEREOF SMITH & NEPHEW, INC. (US) 2023-10-26 WO disclosed
US-11701313-B2 Toothpaste composition LG HOUSEHOLD & HEALTH CARE LTD. 2023-07-18 US disclosed
CN-116287445-A Rapid identification kit for duck coronavirus and Muscovy duck parvovirus and detection method thereof 北京森康生物技术开发有限公司 2023-06-23 CN disclosed
US-20230128275-A1 Toothpaste Composition LG HOUSEHOLD & HEALTH CARE LTD. (KR) 2023-04-27 US disclosed
WO-2023038938-A1 SELECTIVE PARTICLE ENTRAPMENT AND APPLICATIONS THEREOF UNIVERSITY OF MAINE SYSTEM BOARD OF TRUSTEES (US) 2023-03-16 WO disclosed
CN-113986906-A Track reconstruction method based on situation target 中国人民解放军国防科技大学 2022-01-28 CN disclosed
WO-2003018013-A1 STILBENE DERIVATIVE HAVING CYTOCHROME P450 1B1 INHIBITORY ACTIVITY, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, METHOD FOR PREPARING THE SAME, AND COMPOSITION INCLUDING THE SAME PROMEDITECH, INC. (KR) 2003-03-06 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-20250111889-A1 DE NOVO DESIGNED MACROCYCLIC OLIGOAMIDES DHFR, CCNH, ODC1 CYP1A1 3806/4885CYP1B1 3710/4885CYP1A2 3673/4885

“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.