SCHEMBL455044

SCHEMBL455044

COC(C)OC.O=Cc1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 3/20 0.47
ALDH1A1 P00352 6/20 0.47
CYP2A6 P11509 3/20 0.47
TYR P14679 1/20 0.47
TSHR P16473 1/20 0.38
CYP2A13 Q16696 1/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37
TUBB2B Q9BVA1 1/20 0.37

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
SCHEMBL10804430 0.82 CYP2A6 (0.67) ALDH1A3ALDH1A1CYP2A6TYRTSHR
SCHEMBL2081426 0.80 HSD17B10 (0.64) ALDH1A3ALDH1A1CYP2A6TYRTSHR
Cuminaldehyde SCHEMBL10581976 0.80 TYR (0.76) ALDH1A3ALDH1A1CYP2A6TYRTSHR
Anisaldehyde SCHEMBL598535 0.80 ALDH1A1 (0.76) ALDH1A3ALDH1A1CYP2A6TYRTSHR
4-Hydroxybenzaldehyde SCHEMBL8727208 0.80 ALDH5A1 (0.64) ALDH1A3ALDH1A1CYP2A6TYRALDH5A1
SCHEMBL6034 0.80
SCHEMBL17231886 0.80 CYP2A6 (0.52) ALDH1A3ALDH1A1CYP2A6TYRCYP2A13
SCHEMBL569625 0.79 LMNA (0.43) ALDH1A3ALDH1A1CYP2A6TYRMAOA
Benzaldehyde SCHEMBL432383 0.79 ALDH1A1 (0.61) ALDH1A3ALDH1A1CYP2A6TYRTSHR
Acetaldehyde SCHEMBL21722112 0.78 CYP2A6 (0.52) ALDH1A3ALDH1A1CYP2A6TYRCYP2A13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260132295-A1 COMPOUND, COMPOSITION, SURFACE TREATMENT AGENT, METHOD FOR MANUFACTURING ARTICLE, AND ARTICLE AGC Inc. (JP) 2026-05-14 US disclosed
US-20220411449-A1 Method for Preparing Heteroleptic Triarylbismuthanes and Compounds Produced by the Same UNIVERSITY OF HAWAII 2022-12-29 US disclosed
WO-2022254901-A1 NOVEL ORGANOSILICON COMPOUND, NOVEL CROSSLINKING AGENT, CURABLE COMPOSITION, PREPREG, LAMINATE, METAL-CLAD LAMINATED BOARD, AND WIRING BOARD AGC株式会社 2022-12-08 WO disclosed
WO-2022254902-A1 NOVEL ORGANOSILICON COMPOUND, NOVEL CROSSLINKING AGENT, CURABLE COMPOSITION, PREPREG, MULTILAYER BODY, METAL-CLAD LAMINATE AND WIRING BOARD AGC株式会社 2022-12-08 WO disclosed
CN-110092734-B Tandem synthesis method of 2- (phenylmethylene) malononitrile or derivatives thereof 华侨大学 2021-12-31 CN disclosed
WO-2021097159-A1 METHOD FOR PREPARING HETEROLEPTIC TRIARYLBISMUTHANES AND COMPOUNDS PRODUCED BY THE SAME UNIVERSITY OF HAWAII (US) 2021-05-20 WO disclosed
CN-110092734-A A kind of 2-(phenylmethylene) malononitrile or derivatives thereof series connection synthetic method 华侨大学 2019-08-06 CN disclosed
CN-103130812-B Indolo[3,2,1-jk]carbazole derivative, preparation method and application UNIV EAST CHINA NORMAL 2014-12-24 CN disclosed
US-8859615-B2 Compounds, compositions and methods for reducing toxicity and treating or preventing diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-10-14 US disclosed
CN-102659969-B Functional high molecular sensing material with potassium ion selectivity based on click chemistry and application thereof NANJING UNIVERSITY OF TECHNOLOGY 2013-10-30 CN disclosed
CN-1082508-C Heterocyclic azahexane derivatives with antiviral activity NOVARTIS AG (CH) 2002-04-10 CN disclosed
CN-1319587-A Heterocyclic azahexane derivatives with antiviral activity NOVARTIS AG (CH) 2001-10-31 CN disclosed
US-6284756-B1 ANTICOAGULANT ELI LILLY AND COMPANY 2001-09-04 US disclosed
EP-1027051-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2001-03-07 EP disclosed
EP-1027051-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-08-16 EP disclosed
EP-0993300-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-04-19 EP disclosed
CN-1216539-A Heterocyclic azahexane derivatives with antiviral activity NOVARTIS AG (CH) 1999-05-12 CN disclosed
WO-1998048798-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed
WO-1998048804-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed
US-4699698-A Preparation of benzoic acid ortho-esters and novel compounds of this type BASF AKTIENGESELLSCHAFT (DE) 1987-10-13 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-20260132295-A1 COMPOUND, COMPOSITION, SURFACE TREATMENT AGENT, METHOD FOR MANUFACTURING ARTICLE, AND ARTICLE MSR1, SEM1, ASH2L ALDH1A3 4059/4885ALDH1A1 2834/4885CYP2A6 3611/4885
US-20220411449-A1 Method for Preparing Heteroleptic Triarylbismuthanes and Compounds Produced by the Same COASY, HAGH, MRM1 ALDH1A3 1155/4885ALDH1A1 1762/4885CYP2A6 611/4885

“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.