SCHEMBL163203

SCHEMBL163203

C#Cc1ccc(OCC)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
▸ ALDH1A1 P00352 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ KDM4E B2RXH2 2/20 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
▸ MAPT P10636 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ TP53 P04637 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
SCHEMBL10984566 0.94 NQO1 (0.58) NQO1TSHRTDP1LTA4HALDH1A1
SCHEMBL11812608 0.84 NQO1 (0.52) NQO1TSHRTDP1LTA4HRELA
SCHEMBL1007565 0.82 LTA4H (0.53) TSHRLTA4HSMN1; SMN2CA12CA1
SCHEMBL163688 0.82 LTA4H (0.52) LTA4HSMN1; SMN2CA12CA1CA2
1,4-Diethoxybenzene SCHEMBL124015 0.82 NQO1 (1.00) NQO1TSHRTDP1LTA4HALDH1A1
1,4-Diethoxybenzene SCHEMBL28186701 0.82 NQO1 (1.00) NQO1TSHRTDP1LTA4HALDH1A1
SCHEMBL12344398 0.81 L3MBTL1 (0.46) NQO1KDM4E
SCHEMBL10990102 0.81 KMT2A (0.61) ALDH1A1PARP10PRSS1MAPTNPC1
SCHEMBL31160399 0.80 NQO1 (0.74) NQO1TSHRTDP1LTA4H
SCHEMBL20969950 0.80 PRSS1 (0.41) NQO1ALDH1A1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122036798-A Gold (I) complex containing benzene ring ligand, preparation method thereof and application thereof in preparation of antitumor drugs 西南医科大学附属医院 2026-05-15 — — CN claimed
US-20250122132-A1 NITRIFICATION INHIBITORS LINCOLN UNIVERSITY (NZ) 2025-04-17 — — US claimed
EP-3990417-B1 IMPROVEMENTS IN AND RELATING TO NITRIFICATION INHIBITORS LINCOLN UNIV (NZ) 2024-03-27 — — EP claimed
US-20230202941-A1 NITRIFICATION INHIBITORS LINCOLN UNIVERSITY (NZ) 2023-06-29 — — US claimed
CN-115867525-A Improvements in and relating to nitrification inhibitors 林肯大学 2023-03-28 — — CN claimed
US-11578013-B2 Nitrification inhibitors LINCOLN UNIVERSITY (NZ) 2023-02-14 — — US claimed
CN-114874088-A Acetylenic acid and preparation method thereof 中国科学院上海高等研究院 2022-08-09 — — CN claimed
US-20220153655-A1 NITRIFICATION INHIBITORS LINCOLN UNIVERSITY (NZ) 2022-05-19 — — US claimed
EP-3990417-A1 IMPROVEMENTS IN AND RELATING TO NITRIFICATION INHIBITORS Lincoln University (NZ) 2022-05-04 — — EP claimed
WO-2021242122-A1 IMPROVEMENTS IN AND RELATING TO NITRIFICATION INHIBITORS LINCOLN UNIVERSITY (NZ) 2021-12-02 — — WO claimed
CN-109400518-B Polysubstituted 6-arylbenzo [ a ] carbazole derivative and synthetic method thereof 湘潭大学 2021-09-24 — — CN claimed
CN-111909356-A Medical polyurethane material and preparation method thereof 温州大学新材料与产业技术研究院 2020-11-10 — — CN claimed
EP-3362450-B1 N1- AND N7-SUBSTITUTED SIBIRILINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CELLULAR NECROPTOSIS INST NAT SANTE RECH MED (FR) 2020-07-01 — — EP claimed
US-20180312502-A1 N1-And N7-Substituted Sibiriline Derivatives And Their Use As Inhibitor Of Cellular Necroptosis INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2018-11-01 — — US claimed
EP-3362450-A1 N1- AND N7-SUBSTITUTED SIBIRILINE DERIVATIVES AND THEIR USE AS INHIBITOR OF CELLULAR NECROPTOSIS Institut National de la Sante et de la Recherche Medicale (INSERM) (FR) 2018-08-22 — — EP claimed
WO-2017064216-A1 N1- AND N7-SUBSTITUTED SIBIRILINE DERIVATIVES AND THEIR USE AS INHIBITOR OF CELLULAR NECROPTOSIS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2017-04-20 — — WO claimed
CN-122036798-A Gold (I) complex containing benzene ring ligand, preparation method thereof and application thereof in preparation of antitumor drugs 西南医科大学附属医院 2026-05-15 — — CN disclosed
US-20250122132-A1 NITRIFICATION INHIBITORS LINCOLN UNIVERSITY (NZ) 2025-04-17 — — US disclosed
EP-0306505-A1 ACETYLENE DERIVATIVES AS COMPONENTS OF LIQUID CRYSTAL PHASES. MERCK PATENT GMBH (DE) 1989-03-15 — — EP disclosed
WO-1988007523-A1 ACETYLENE DERIVATIVES AS COMPONENTS OF LIQUID CRYSTAL PHASES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1988-10-06 — — WO 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-20230202941-A1 NITRIFICATION INHIBITORS NOS1, NOS2, NOS3 NQO1 74/4885TSHR 3480/4885TDP1 936/4885
US-11578013-B2 Nitrification inhibitors NOS1, NOS2, NOS3 NQO1 74/4885TSHR 3480/4885TDP1 936/4885
US-20250122132-A1 NITRIFICATION INHIBITORS NOS1, NOS2, NOS3 NQO1 74/4885TSHR 3480/4885TDP1 936/4885
US-20220153655-A1 NITRIFICATION INHIBITORS NOS1, NOS2, NOS3 NQO1 74/4885TSHR 3480/4885TDP1 936/4885
US-20180312502-A1 N1-And N7-Substituted Sibiriline Derivatives And Their Use As Inhibitor Of Cellular Necroptosis CASP7, RIPK3, PARK7 NQO1 1497/4885TSHR 4144/4885TDP1 1333/4885

“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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