SCHEMBL169434

SCHEMBL169434

COc1ccc2cccc(O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2A6 P11509 1/20 0.55
CTDSP1 Q9GZU7 1/20 0.53
HTR2A P28223 2/20 0.51
MTNR1B P49286 3/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
NQO2 P16083 1/20 0.47

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
1-Naphthol SCHEMBL2016852 0.86 CYP1A2 (0.63) MTNR1ACYP1A2CYP2A6
SCHEMBL30277953 0.85 CYP1A2 (0.55) MTNR1ACYP1A2CYP2A6MTNR1B
SCHEMBL774076 0.85 CYP1A2 (0.55) MTNR1ACYP1A2CYP2A6MTNR1B
SCHEMBL28776166 0.84 CYP1A2 (0.52) MTNR1ACYP1A2CYP2A6HTR2AMTNR1B
1-Naphthol SCHEMBL7584597 0.83 CYP1A2 (0.55) CYP1A2CYP2A6NQO2
SCHEMBL9502674 0.80 CTDSP1 (0.49) MTNR1ACYP1A2CTDSP1MTNR1BNQO2
SCHEMBL7079680 0.80 MTNR1A (0.48) MTNR1ACTDSP1MTNR1BHTR2CHTR2B
SCHEMBL28628067 0.79 CYP1A2 (0.70) CYP1A2CYP2A6
SCHEMBL18674135 0.79 CYP1A2 (0.52) CYP1A2CYP2A6CTDSP1
1-Naphthol SCHEMBL28030286 0.79 HDAC4 (0.61) CYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116135848-A Coumarin compound and preparation method and application thereof 中国科学院兰州化学物理研究所 2023-05-19 CN claimed
CN-115536502-A Preparation method and application of 7-methoxy-1-naphthol 阜阳欣奕华制药科技有限公司 2022-12-30 CN claimed
CN-113549002-A D-sigma-A configuration compound, and synthesis method and application thereof 西安近代化学研究所 2021-10-26 CN claimed
US-8212077-B2 Process for the synthesis of agomelatine LES LABORATOIRES SERVIER (FR) 2012-07-03 US claimed
EP-2151428-B1 Process for the preparation of agomelatin SERVIER LAB (FR) 2012-03-07 EP claimed
WO-2010015745-A1 NOVEL METHOD FOR THE SYNTHESIS OF AGOMELATINE LES LABORATOIRES SERVIER (FR) 2010-02-11 WO claimed
US-20100036162-A1 Process for the synthesis of agomelatine LES LABORATOIRES SERVIER (FR) 2010-02-11 US claimed
EP-2151428-A1 Process for the preparation of agomelatin Les Laboratoires Servier (FR) 2010-02-10 EP claimed
EP-0697854-B1 USE OF HYDROXYNAPHTHALENES IN COLOURING AGENTS HENKEL KGAA (DE) 1997-03-05 EP claimed
EP-0697854-A1 USE OF HYDROXYNAPHTHALENES IN COLOURING AGENTS HENKEL KGAA (DE) 1996-02-28 EP claimed
WO-1994026241-A1 USE OF HYDROXYNAPHTHALENES IN COLOURING AGENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1994-11-24 WO claimed
US-12162863-B2 Modulators of stimulator of interferon genes (STING) Ryvu Therapeutics S.A. (PL) 2024-12-10 US disclosed
CN-117865925-A 3, 4-benzocoumarin compound based on complex functional aromatic hydrocarbon and preparation method and application thereof 上海瑞苷生物科技有限公司 2024-04-12 CN disclosed
CN-116135848-B Coumarin compound and preparation method and application thereof 中国科学院兰州化学物理研究所 2024-03-12 CN disclosed
EP-4153555-B1 PHOTOOXIDATION OF PHENOLIC COMPOUNDS DSM IP ASSETS BV (NL) 2024-01-31 EP disclosed
US-3956294-A AZO DYES, PESTICIDES, ANALEPTICS, ANALGESICS, DIURETICS CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-05-11 US disclosed
US-3954782-A 2,6-Hydrazino-3-pyridine carboxyamides CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-05-04 US disclosed
US-3947463-A Certain 2-amino-nicotinonitrile derivatives CASSELLA FARBWERKE MAINKUR AG (DT) 1976-03-30 US disclosed
US-3946024-A INTERMEDIATES FOR AZO DYES CASSELLA FARBWERKE MAINKUR AG (DT) 1976-03-23 US disclosed
US-3935267-A CARDIOVASCULAR DISORDERS E. R. SQUIBB & SONS, INC. (US) 1976-01-27 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-12162863-B2 Modulators of stimulator of interferon genes (STING) STING1, IRF3, CGAS MTNR1A 190/4885CYP1A2 718/4885CYP2A6 2081/4885
US-20100036162-A1 Process for the synthesis of agomelatine COMT, PNMT, TPH1 MTNR1A 331/4885CYP1A2 45/4885CYP2A6 90/4885

“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.