SCHEMBL368071

SCHEMBL368071

Brc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.66
MAOB P27338 1/20 0.58
CCR5 P51681 5/20 0.57
ALDH1A1 P00352 3/20 0.56
USP28 Q96RU2 1/20 0.56
USP25 Q9UHP3 1/20 0.56
RAB9A P51151 1/20 0.56
HTT P42858 2/20 0.55
PTGER1 P34995 5/20 0.54
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 1/20 0.51

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
SCHEMBL31644088 1.00 SLC6A4 (0.66) SLC6A4MAOBCCR5ALDH1A1USP28
SCHEMBL30504080 0.90 SLC6A4 (0.59) SLC6A4MAOBCCR5ALDH1A1USP28
SCHEMBL30124921 0.90 SMPD1 (0.59) SLC6A4MAOBCCR5ALDH1A1USP28
SCHEMBL30601752 0.90 SMPD1 (0.59) SLC6A4MAOBCCR5ALDH1A1USP28
SCHEMBL2060462 0.90 SMPD1 (0.59) SLC6A4MAOBCCR5ALDH1A1USP28
SCHEMBL1447864 0.90 SLC6A4 (0.59) SLC6A4MAOBCCR5ALDH1A1USP28
SCHEMBL15726115 0.87 SLC6A4 (0.54) SLC6A4MAOBCCR5ALDH1A1USP28
SCHEMBL22636179 0.87 SLC6A4 (0.54) SLC6A4MAOBCCR5ALDH1A1USP28
SCHEMBL17049367 0.87 CCR5 (0.56) SLC6A4MAOBCCR5ALDH1A1USP28
SCHEMBL4434864 0.87 SLC6A4 (0.56) SLC6A4MAOBCCR5ALDH1A1USP28

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12473264-B2 Inhibitors of erythrocyte band 3 tyrosine phosphorylation and uses thereof PURDUE RESEARCH FOUNDATION (US) 2025-11-18 US disclosed
WO-2023171231-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE キヤノン株式会社 2023-09-14 WO disclosed
US-20230227420-A1 PRODRUGS OF MDMA, MDA, AND DERIVATIVES THEREOF EMPATHBIO, INC. 2023-07-20 US disclosed
US-20230227420-A1 PRODRUGS OF MDMA, MDA, AND DERIVATIVES THEREOF EMPATHBIO, INC. 2023-07-20 US disclosed
CN-116075512-A Heterocyclic compounds and imaging agents for imaging huntingtin CHDI基金会股份有限公司 2023-05-05 CN disclosed
WO-2023056102-A1 NOVEL PRODRUGS OF MDMA, MDA, AND DERIVATIVES THEREOF ATAI Life Sciences AG (DE) 2023-04-06 WO disclosed
US-20220388968-A1 INHIBITORS OF ERYTHROCYTE BAND 3 TYROSINE PHOSPHORYLATION AND USES THEREOF PURDUE RESEARCH FOUNDATION 2022-12-08 US disclosed
EP-3534903-B1 SUBSTITUTED PYRIDINONE-CONTAINING TRICYCLIC COMPOUNDS, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2022-08-03 EP disclosed
US-11013726-B2 Substituted pyridinone-containing trycyclic compounds, and methods using same ARBUTUS BIOPHARMA CORPORATION (CA) 2021-05-25 US disclosed
WO-2020257495-A1 INHIBITORS OF ERYTHROCYTE BAND 3 TYROSINE PHOSPHORYLATION AND USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2020-12-24 WO disclosed
US-20190314347-A1 SUBSTITUTED PYRIDINONE-CONTAINING TRYCYCLIC COMPOUNDS, AND METHODS USING SAME ARBUTUS BIOPHARMA, INC. 2019-10-17 US disclosed
EP-3534903-A1 SUBSTITUTED PYRIDINONE-CONTAINING TRICYCLIC COMPOUNDS, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2019-09-11 EP disclosed
EP-2818531-B1 Polymerisable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2017-07-26 EP disclosed
EP-2818531-B1 Polymerisable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2017-07-26 EP disclosed
US-9567526-B2 Polymerizable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2017-02-14 US disclosed
EP-2818531-A1 Polymerisable compounds and the use thereof in liquid-crystal displays Merck Patent GmbH (DE) 2014-12-31 EP disclosed
US-20140375943-A1 POLYMERIZABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS MERCK PATENT GMBH (DE) 2014-12-25 US disclosed
CN-103080056-A Method for preparing hydroxytyrosol by using organic metal compound LONZA AG 2013-05-01 CN disclosed
WO-2012006783-A1 PROCESS FOR PRODUCTION OF HYDROXYTYROSOL USING ORGANOMETALLIC COMPOUNDS LONZA LTD (CH) 2012-01-19 WO disclosed
US-4046901-A HYPOTENSIVE AGENTS ROUSSEL-UCLAF (FR) 1977-09-06 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 (5 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-20230227420-A1 PRODRUGS OF MDMA, MDA, AND DERIVATIVES THEREOF COMT, PNMT, ABCB1 SLC6A4 29/4885MAOB 28/4885CCR5 3678/4885
US-20190314347-A1 SUBSTITUTED PYRIDINONE-CONTAINING TRYCYCLIC COMPOUNDS, AND METHODS USING SAME HAVCR2, HCCS, TYMP SLC6A4 2531/4885MAOB 212/4885CCR5 84/4885
US-20220388968-A1 INHIBITORS OF ERYTHROCYTE BAND 3 TYROSINE PHOSPHORYLATION AND USES THEREOF SPTBN1, CTTN, HBG1 SLC6A4 4331/4885MAOB 3013/4885CCR5 3630/4885
US-11013726-B2 Substituted pyridinone-containing trycyclic compounds, and methods using same HAVCR2, HCCS, TYMP SLC6A4 2531/4885MAOB 212/4885CCR5 84/4885
US-12473264-B2 Inhibitors of erythrocyte band 3 tyrosine phosphorylation and uses thereof HBG1, SPTBN1, CTTN SLC6A4 4161/4885MAOB 2588/4885CCR5 3589/4885

“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.