SCHEMBL2743635

SCHEMBL2743635

COc1cc(C=O)c(Br)c(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.58
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
TSHR P16473 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ERN1 O75460 3/20 0.49
EGFR P00533 3/20 0.47
PTPN1 P18031 1/20 0.44
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL9860592 0.90 PRKDC (0.49) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL1134649 0.89 PRKDC (0.58) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL6782177 0.85 PRKDC (0.47) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL19453679 0.85 PRKDC (0.55) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL20661182 0.85 PRKDC (0.55) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL3152057 0.85 PRKDC (0.58) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL9861378 0.84 ERN1 (0.60) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL9860690 0.84 ERN1 (0.57) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL9016756 0.84 PRKDC (0.53) PRKDCALDH1A1KDM4ETSHRTDP1
SCHEMBL3751505 0.82 ALDH1A1 (0.59) PRKDCALDH1A1KDM4ETSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12436135-B2 Analytical process for detecting peroxide-, nitrate-, nitramine-, and nitrotoluene-based explosives CHRISTIAN-ALBRECHTS-UNIVERSITÄT ZU KIEL (DE) 2025-10-07 US disclosed
EP-4073505-A1 ANALYTICAL PROCESS FOR DETECTING PEROXIDE-, HALOGEN OXOANION-, NITRATE-, NITRAMINE- AND NITROTOLUENE-BASED EXPLOSIVES Christian-Albrechts-Universität zu Kiel (DE) 2022-10-19 EP disclosed
US-20220308027-A1 ANALYTICAL PROCESS FOR DETECTING PEROXIDE-, HALOGEN OXOANION-, NITRATE-, NITRAMINE-, AND NITROTOLUENE-BASED EXPLOSIVES CHRISTIAN-ALBRECHTS-UNIVERSITÄT ZU KIEL (DE) 2022-09-29 US disclosed
WO-2021198249-A1 ANALYTICAL PROCESS FOR DETECTING PEROXIDE-, HALOGEN OXOANION-, NITRATE-, NITRAMINE- AND NITROTOLUENE-BASED EXPLOSIVES CHRISTIAN-ALBRECHTS-UNIVERSITÄT ZU KIEL (DE) 2021-10-07 WO disclosed
US-10383831-B2 2,4,6-trialkoxystryl aryl sulfones, sulfonamides and carboxamides, and methods of preparation and use Temple University—Of the Commonwealth System of Higher Education (US) 2019-08-20 US disclosed
US-20180243239-A1 2,4,6-TRIALKOXYSTRYL ARYL SULFONES, SULFONAMIDES AND CARBOXAMIDES, AND METHODS OF PREPARATION AND USE TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2018-08-30 US disclosed
WO-2017023912-A1 2,4,6-TRIALKOXYSTRYL ARYL SULFONES, SULFONAMIDES AND CARBOXAMIDES, AND METHODS OF PREPARATION AND USE TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-02-09 WO disclosed
CN-106083557-A α, β unsaturation cyclohexanone derivative and application thereof 武汉理工大学 2016-11-09 CN disclosed
US-8637575-B2 Modulators of protein kinase signaling NOVOTYR THERAPEUTICS LTD. (IL) 2014-01-28 US disclosed
US-8536227-B2 2013-09-17 US disclosed
WO-2006067412-A1 CHEMICAL PROCESSES FOR THE PREPARATION OF A COLCHINOL DERIVATIVE AND INTERMEDIATES ASTRAZENECA AB (SE) 2006-06-29 WO disclosed
WO-2006067416-A1 CHEMICAL PROCESSES AND INTERMEDIATES ASTRAZENECA AB (SE) 2006-06-29 WO disclosed
CN-1475486-A Chiral 3-aryl benzo phthalein kind compound, synthesis method and use 中国科学院上海有机化学研究所 2004-02-18 CN disclosed
US-5731455-A ALKYL 2-ALKYLACYLACRYLATE CHEMICAL INTERMEDIATE; ANTICHOLESTEROL AGENTS SHIONOGI & CO., LTD. (JP) 1998-03-24 US disclosed
EP-0597107-B1 LIGNAN ANALOG, PRODUCTION THEREOF, AND HYPOLIPIDEMIC DRUG SHIONOGI & CO (JP) 1996-07-03 EP disclosed
US-5502216-A ANTICHOLESTEROL SHIONOGI & CO., LTD. (JP) 1996-03-26 US disclosed
EP-0701991-A1 Process for the preparation of lignin analogues and starting materials therefor SHIONOGI & CO., LTD. (JP) 1996-03-20 EP disclosed
US-5449814-A Dehydration; Michael condensation SHIONOGI & CO., LTD. (JP) 1995-09-12 US disclosed
US-5420333-A Hydroxy ketone compounds SHIONOGI & CO., LTD. (JP) 1995-05-30 US disclosed
EP-0597107-A1 LIGNAN ANALOG, PRODUCTION THEREOF, AND HYPOLIPIDEMIC DRUG SHIONOGI & CO., LTD. (JP) 1994-05-18 EP 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-10383831-B2 2,4,6-trialkoxystryl aryl sulfones, sulfonamides and carboxamides, and methods of preparation and use CCNY, STS, ARSA PRKDC 3236/4885ALDH1A1 1603/4885KDM4E 1855/4885
US-20180243239-A1 2,4,6-TRIALKOXYSTRYL ARYL SULFONES, SULFONAMIDES AND CARBOXAMIDES, AND METHODS OF PREPARATION AND USE CCNY, STS, ARSA PRKDC 3236/4885ALDH1A1 1603/4885KDM4E 1855/4885

“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.