SCHEMBL3720666

SCHEMBL3720666

CCOc1ccc(CBr)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.67
▸ TSHR P16473 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ LTA4H P09960 2/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ LMNA P02545 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ PARP10 Q53GL7 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA7 P43166 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ PRSS1 P07477 1/20 0.45
▸ PRSS2 P07478 1/20 0.45
▸ PRSS3 P35030 1/20 0.45
▸ ADRA2A P08913 1/20 0.44
▸ MAPT P10636 1/20 0.44

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
SCHEMBL8885157 0.84 LTA4H (0.50) NQO1TSHRTDP1LTA4HSMN1; SMN2
SCHEMBL3661128 0.82 NQO1 (0.61) NQO1TSHRTDP1LTA4HSMN1; SMN2
SCHEMBL4122924 0.82 L3MBTL1 (0.53) LTA4HSMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL4487824 0.82 LTA4H (0.53) TSHRLTA4HSMN1; SMN2KDM4E
1,4-Diethoxybenzene SCHEMBL28186701 0.82 NQO1 (1.00) NQO1TSHRTDP1LTA4HSMN1; SMN2
1,4-Diethoxybenzene SCHEMBL124015 0.82 NQO1 (1.00) NQO1TSHRTDP1LTA4HSMN1; SMN2
SCHEMBL9541070 0.81 THRA (0.45) NQO1LTA4HSMN1; SMN2LMNAKDM4E
SCHEMBL31423 0.80 NQO1 (0.74) NQO1TSHRTDP1LTA4HSMN1; SMN2
SCHEMBL2488793 0.80 NQO1 (0.74) NQO1TSHRTDP1LTA4HSMN1; SMN2
SCHEMBL9705589 0.80 TRPA1 (0.43) TSHRLTA4HALDH1A1PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4644390-A1 PROTEIN TYROSINE KINASE INHIBITOR AND MEDICAL USE THEREOF Beyang Therapeutics Co., Ltd. (CN) 2025-11-05 — — EP disclosed
WO-2025133654-A1 NEW CRYPTATE-TYPE (BICYCLIC) CHELATORS AND THEIR USE AS LIGANDS FOR MN(II)-BASED MRI CONTRAST AGENTS, 52MN-BASED PET DIAGNOSTIC AGENTS, AND 64/67CU(II)-ISOTOPE-BASED PET DIAGNOSTIC AND THERAPEUTIC AGENTS DEBRECENI EGYETEM (HU) 2025-06-26 — — WO disclosed
US-12336991-B2 Factor XIIA inhibitors UNIVERSITY OF LEEDS (GB) 2025-06-24 — — US disclosed
WO-2024140850-A1 PROTEIN TYROSINE KINASE INHIBITOR AND MEDICAL USE THEREOF 苏州必扬医药科技有限公司 2024-07-04 — — WO disclosed
CN-116514790-A Tri-aromatic heterocyclic piperazine small molecular organic compound targeting STAT3 and application thereof 华东师范大学 2023-08-01 — — CN disclosed
US-20220305011-A1 FACTOR XIIA INHIBITORS UNIVERSITY OF LEEDS (GB) 2022-09-29 — — US disclosed
CN-109020963-B OFF-ON type near-infrared fluorescent probe of cytochrome oxidase CYP2J2 and application thereof 大连医科大学 2021-05-11 — — CN disclosed
CN-104230770-B The application of styryl sulfone compound, its preparation method as well as neuroprotective agent 华夏生生药业(北京)有限公司 2017-11-21 — — CN disclosed
US-9220265-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2015-12-29 — — US disclosed
US-9206222-B2 Solid phase peptide synthesis of peptide alcohols CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-12-08 — — US disclosed
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 — — WO disclosed
WO-2007073095-A1 PROCESS FOR THE PREPARATION OF (S)-(+)-CLOPIDOGREL ON A SOLID-PHASE SK CHEMICALS CO., LTD. (KR) 2007-06-28 — — WO disclosed
CN-1839133-A Substituted naphthyridine derivatives as inhibitors of macrophage migration inhibitory factor and their use in the treatment of human diseases AVANIR PHARMACEUTICALS (US) 2006-09-27 — — CN disclosed
EP-1682528-A1 BENZO [b][1,4] DIOXEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 — — EP disclosed
WO-2005044814-A1 BENZO [b][1,4] DIOXEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-05-19 — — WO disclosed
EP-1053247-A1 ANTIFUNGAL CYCLOHEXAPEPTIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-22 — — EP disclosed
WO-1999040108-A1 NEW COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-08-12 — — WO disclosed
US-4400293-A Liquid crystalline cyclohexylphenyl derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-08-23 — — US disclosed
US-4171371-A Diketones STERLING DRUG INC. (US) 1979-10-16 — — US disclosed
US-4153719-A Aromatic diketones STERLING DRUG INC. (US) 1979-05-08 — — 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-20220305011-A1 FACTOR XIIA INHIBITORS F11, F13B, F12 NQO1 957/4885TSHR 2458/4885TDP1 1923/4885
US-12336991-B2 Factor XIIA inhibitors F11, F13B, F12 NQO1 957/4885TSHR 2458/4885TDP1 1923/4885

“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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