SCHEMBL936832

SCHEMBL936832

C#Cc1ccc2cc(OC)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.54
CYP1A2 P05177 1/20 0.54
NQO1 P15559 1/20 0.49
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
HPGDS O60760 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GSTP1 P09211 1/20 0.44
NCF1 P14598 1/20 0.43
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
PTGS1 P23219 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL29566280 1.00 CYP2A6 (0.54) CYP2A6CYP1A2NQO1HSD17B1HSD17B2
SCHEMBL936825 0.96 CYP2A6 (0.50) CYP2A6CYP1A2NQO1HSD17B1HSD17B2
SCHEMBL29566275 0.86 CYP2A6 (0.48) CYP2A6CYP1A2NQO1HSD17B1HSD17B2
SCHEMBL29870412 0.82 CYP1A1 (0.54) CYP2A6CYP1A2CYP1A1CYP1B1
SCHEMBL1478481 0.82 CYP1A1 (0.54) CYP2A6CYP1A2CYP1A1CYP1B1
SCHEMBL187127 0.80 CA1 (0.58) KDM4ERAB9AMEN1MAPK1KMT2A
SCHEMBL21715140 0.80 SLC6A2 (0.37) CYP2A6CYP1A2HPGDSKDM4EGSTP1
SCHEMBL10481157 0.79 CYP1A1 (0.52) CYP1A1CYP1B1
SCHEMBL9743076 0.79 APP (0.59) CYP2A6CYP1A2NQO1HSD17B1HSD17B2
SCHEMBL31499214 0.79 NQO1 (0.62) CYP2A6CYP1A2NQO1HSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4731570-A2 GAMMA-GRAPHYNE AND METHODS OF FABRICATION CASE WESTERN RESERVE UNIVERSITY (US) 2026-04-29 EP claimed
WO-2024264047-A2 GAMMA-GRAPHYNE AND METHODS OF FABRICATION CASE WESTERN RESERVE UNIVERSITY (US) 2024-12-26 WO claimed
US-11814462-B2 Functionalized cyclic polymers and methods of preparing same UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2023-11-14 US claimed
CN-114874088-A Acetylenic acid and preparation method thereof 中国科学院上海高等研究院 2022-08-09 CN claimed
US-20220056167-A1 Functionalized Cyclic Polymers and Methods of Preparing Same NATIONAL SCIENCE FOUNDATION 2022-02-24 US claimed
WO-2020223672-A1 FUNCTIONALIZED CYCLIC POLYMERS AND METHODS OF PREPARING SAME UNIVERSITY OF FLORIDA RESEARCHFOUNDATION, INC. (US) 2020-11-05 WO claimed
EP-3768672-B1 3-(HYDROXY)-PYRIDIN-4(1H)-ONE COMPOUNDS AND METHODS OF USING THE SAME GEORGIA TECH RES INST (US) 2026-04-29 EP disclosed
US-12521382-B2 3-(hydroxy)-pyridin-4(1H)-one compounds and methods of making and using the same GEORGIA TECH RESEARCH CORPORATION (US) 2026-01-13 US disclosed
US-20250268880-A1 3-(Hydroxy)-Pyridin-4(1H)-One Compounds and Methods of Making and Using the Same GEORGIA TECH RESEARCH CORPORATION 2025-08-28 US disclosed
US-12324803-B2 3-(hydroxy)-pyridin-4(1H)-one compounds and methods of making and using the same GEORGIA TECH RESEARCH CORPORATION (US) 2025-06-10 US disclosed
US-20250122133-A1 Selective Transition Metal Catalyzed Deuterium Incorporation Into Alkyne and Alkene Functionalities MARQUETTE UNIVERSITY 2025-04-17 US disclosed
CN-112390814-B Combination of an EP4 receptor antagonist and a PD-1 inhibitor for the treatment of cancer 上海宇耀生物科技有限公司 2023-12-05 CN disclosed
CN-114516789-B Cyclopropenones micromolecule compound and synthetic method and application thereof 暨南大学 2023-12-05 CN disclosed
EP-1401822-A1 NAPHTHYL BENZOFURAN DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) Wyeth (US) 2004-03-31 EP disclosed
US-6599925-B2 Cardiovascular disorders; anticancer agents WYETH 2003-07-29 US disclosed
US-20030018067-A1 Substituted naphthyl benzofuran derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH 2003-01-23 US disclosed
WO-2003000671-A1 NAPHTHYL BENZOFURAN DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH (US) 2003-01-03 WO disclosed
US-4073936-A Hypolipidemic allene carboxylic esters SANDOZ, INC. (US) 1978-02-14 US disclosed
US-4011339-A ANTIINFLAMMATORY AGENTS SANDOZ, INC. (US) 1977-03-08 US disclosed
US-3987116-A ETHYNYLARYL COMPOUNDS AND DERIVATIVES THEREOF WILLIAM H. RORER, INC. (US) 1976-10-19 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 (4 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-20250122133-A1 Selective Transition Metal Catalyzed Deuterium Incorporation Into Alkyne and Alkene Functionalities HDHD5, DDT, AHR CYP2A6 87/4885CYP1A2 81/4885NQO1 15/4885
US-20030018067-A1 Substituted naphthyl benzofuran derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) F2R, SERPINE1, SERPINC1 CYP2A6 1231/4885CYP1A2 1023/4885NQO1 2696/4885
US-20250268880-A1 3-(Hydroxy)-Pyridin-4(1H)-One Compounds and Methods of Making and Using the Same KDM1B, KDM3A, KDM1A CYP2A6 2718/4885CYP1A2 2929/4885NQO1 3437/4885
US-12324803-B2 3-(hydroxy)-pyridin-4(1H)-one compounds and methods of making and using the same KDM1B, KDM3A, KDM1A CYP2A6 2718/4885CYP1A2 2929/4885NQO1 3437/4885

“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.