SCHEMBL1487663

SCHEMBL1487663

O=Cc1ccc2ccc(C=O)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 8/20 0.52
▸ ALDH1A1 P00352 5/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ PTGS2 P35354 1/20 0.50
▸ TSHR P16473 1/20 0.44
▸ TYR P14679 1/20 0.44
▸ HSD17B10 Q99714 2/20 0.43
▸ ALDH5A1 P51649 1/20 0.43
▸ ABAT P80404 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ RELA Q04206 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
SCHEMBL29433921 1.00 CYP2A6 (0.52) CYP2A6ALDH1A1RAB9AKDM4EPTGS2
SCHEMBL9883838 0.92 CYP2A6 (0.50) CYP2A6ALDH1A1RAB9AKDM4EPTGS2
SCHEMBL30972495 0.92 CYP2A6 (0.50) CYP2A6ALDH1A1RAB9AKDM4EPTGS2
SCHEMBL29617404 0.92 CYP2A6 (0.50) CYP2A6ALDH1A1RAB9AKDM4EPTGS2
SCHEMBL19182196 0.92 CYP2A6 (0.50) CYP2A6ALDH1A1RAB9AKDM4EPTGS2
SCHEMBL29617405 0.92 CYP2A6 (0.50) CYP2A6ALDH1A1RAB9AKDM4EPTGS2
SCHEMBL977774 0.91 CYP2A6 (0.54) CYP2A6ALDH1A1RAB9AKDM4EPTGS2
2-Naphthaldehyde SCHEMBL51340 0.87 RELA (0.58) CYP2A6ALDH1A1RAB9AKDM4ERELA
2-Naphthaldehyde SCHEMBL30229844 0.87 RELA (0.58) CYP2A6ALDH1A1RAB9AKDM4ERELA
2-Naphthaldehyde SCHEMBL28110154 0.87 RELA (0.58) CYP2A6ALDH1A1RAB9AKDM4ERELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115873226-B Copolycarbonate and preparation method and application thereof 万华化学集团股份有限公司 2024-05-03 — — CN disclosed
US-20230330604-A1 MOLECULARLY POROUS CROSS-LINKED MEMBRANES UNIV KING ABDULLAH SCI & TECH (SA) 2023-10-19 — — US disclosed
CN-115873226-A Copolycarbonate, preparation method and application thereof 万华化学集团股份有限公司 2023-03-31 — — CN disclosed
WO-2022058961-A1 MOLECULARLY POROUS CROSS-LINKED MEMBRANES KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2022-03-24 — — WO disclosed
WO-2021160132-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海美悦生物科技发展有限公司 2021-08-19 — — WO disclosed
EP-3062151-B1 RESIST COMPOSITION, METHOD FOR FORMING RESIST PATTERN, POLYPHENOLIC COMPOUND FOR USE IN THE COMPOSITION, AND ALCOHOLIC COMPOUND THAT CAN BE DERIVED THEREFROM MITSUBISHI GAS CHEMICAL CO (JP) 2021-05-05 — — EP disclosed
EP-3141957-B1 RESIST MATERIAL, RESIST COMPOSITION, AND RESIST PATTERN FORMATION METHOD MITSUBISHI GAS CHEMICAL CO (JP) 2021-03-24 — — EP disclosed
EP-2955575-B1 RESIST COMPOSITION, RESIST PATTERN FORMATION METHOD, AND POLYPHENOL DERIVATIVE USED IN SAME MITSUBISHI GAS CHEMICAL CO (JP) 2020-07-29 — — EP disclosed
CN-106462059-B Resist material, resist composition, and resist pattern forming method 三菱瓦斯化学株式会社 2020-07-28 — — CN disclosed
CN-106957217-B Polyhydric phenol compound for resist composition 三菱瓦斯化学株式会社 2020-07-24 — — CN disclosed
CN-101088046-A Compound for resist and radiation-sensitive composition MITSUBISHI GAS CHEMICAL CO (JP) 2007-12-12 — — CN disclosed
EP-1615286-B1 Ion conductive polymer electrolyte membrane and production method for the same POLYMATECH CO LTD (JP) 2007-09-12 — — EP disclosed
EP-1830228-A1 COMPOUND FOR RESIST AND RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2007-09-05 — — EP disclosed
EP-1615286-A1 Ion conductive polymer electrolyte membrane and production method for the same Polymatech Co., Ltd. (JP) 2006-01-11 — — EP disclosed
US-20060004112-A1 Molecular chains of the liquid crystalline polymer (e.g. polybenzoxazole, polybenzothiazole, and polybenzimidazole) having an ionic disosciative group and molecular chain orientated in a specific direction; allows permeation of hydrogen ions generated at a fuel electrode (anode) to cathode POLYMATECH CO., LTD. 2006-01-05 — — US disclosed
US-20020111514-A1 Polyaldehyde reaction products COGNIX CORPORATION (COGNIS CORP.) 2002-08-15 — — US disclosed
WO-2002050146-A1 POLYALDEHYDE REACTION PRODUCTS COGNIS CORPORATION (US) 2002-06-27 — — WO disclosed
EP-0374269-A1 Amine thiocyanates as accelerators for cure of polyepoxide-polyimine materials Ashland Oil, Inc. (US) 1990-06-27 — — EP disclosed
US-4775735-A SHELF STABILITY, QUICK-SETTING ASHLAND OIL, INC. (US) 1988-10-04 — — US disclosed
US-3990180-A Peat containers for the planting of containerized seedlings BUNTING WILLIAM M 1976-11-09 — — 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-20020111514-A1 Polyaldehyde reaction products OXER1, RER1, ME1 CYP2A6 927/4885ALDH1A1 1019/4885RAB9A 4281/4885

“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.

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