Sugi Predict

Sugi Predict / Compounds / SCHEMBL779656

SCHEMBL779656

SCHEMBL779656

[CH]1CCCC1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ RECQL P46063 1/20 0.37
▸ SLC18A3 Q16572 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAOA P21397 5/20 0.34
▸ MAOB P27338 5/20 0.34
▸ KDM1A O60341 4/20 0.34
▸ CYP2C19 P33261 4/20 0.34
▸ CYP2B6 P20813 3/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL2157992 0.93 ALDH1A1 (0.41) ALDH1A1GAARECQLSLC18A3SIGMAR1
SCHEMBL777693 0.93 ALDH1A1 (0.41) ALDH1A1GAARECQLSLC18A3SIGMAR1
SCHEMBL2160450 0.93 ALDH1A1 (0.41) ALDH1A1GAARECQLSLC18A3SIGMAR1
SCHEMBL11484818 0.91 SLC18A3 (0.40) ALDH1A1GAARECQLSLC18A3SIGMAR1
SCHEMBL1929909 0.82 SLC18A3 (0.41) ALDH1A1GAASLC18A3SIGMAR1TSHR
SCHEMBL5347176 0.77 ALDH1A1 (0.35) ALDH1A1GAARECQLSLC18A3SIGMAR1
SCHEMBL18304604 0.77 CYP2C19 (0.39) ALDH1A1GAARECQLSLC18A3SIGMAR1
SCHEMBL1878862 0.77 HTR3A (0.42) SLC18A3LMNACYP2A6SLC6A2HTR2C
SCHEMBL21531502 0.77 CYP2C19 (0.39) ALDH1A1GAARECQLSLC18A3SIGMAR1
SCHEMBL6831259 0.77 ESR2 (0.42) KDM1ACYP2D6CYP2C9CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2299813-B1 BRANCHED 3- AND 6-SUBSTITUTED QUINOLINES AS CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2015-12-16 — — EP claimed
US-8377955-B2 Branched 3- and 6-substituted quinolines as CGRP receptors antagonists Merck, Sharp & Dohme, Corp. (US) 2013-02-19 — — US claimed
US-20110105549-A1 BRANCHED 3- AND 6-SUBSTITUTED QUINOLINES AS CGRP RECEPTORS ANTAGONISTS MERCK SHARP & DOHME LLC 2011-05-05 — — US claimed
US-5284976-A Method of producing primary amines in high yields ALDRICH CHEMICAL COMPANY, INC. (US) 1994-02-08 — — US claimed
US-5210310-A Optically active dimethylorganoboranes ALDRICH CHEMICAL CO., INC. (US) 1993-05-11 — — US claimed
CN-113668004-B Method for electrochemical synthesis of non-natural amino acid derivatives 浙江工业大学 2023-05-23 — — CN disclosed
US-20220149436-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2022-05-12 — — US disclosed
CN-112341359-B Fluorenoxime ester compound, preparation method and application thereof 常州强力电子新材料股份有限公司 2022-05-06 — — CN disclosed
CN-113150053-A Azobenzene avermectin derivative and preparation method and application thereof 华东理工大学 2021-07-23 — — CN disclosed
EP-3621141-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2020-03-11 — — EP disclosed
US-20190292194-A1 INHIBITORS OF ERK AND METHODS OF USE KURA ONCOLOGY, INC. 2019-09-26 — — US disclosed
US-20190229372-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2019-07-25 — — US disclosed
US-RE38188-E1 Ethylene derivatives and pesticides containing said derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-07-15 — — US disclosed
EP-0913392-B1 ETHYLENE DERIVATIVES AND PEST CONTROLLING AGENTS NISSAN CHEMICAL IND LTD (JP) 2003-07-02 — — EP disclosed
US-6462049-B1 LOW TOXICITY AND PERSISTENT INSECTICIDES AND FUNGICIDES; PREVENTING ATTACHMENT OF AQUATIC ORGANISMS; ECOSYSTEM FRIENDLY; NONPOLLUTING NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2002-10-08 — — US disclosed
US-6063734-A AGRICULTURAL CHEMICALS, AGENTS FOR PREVENTING ATTACHMENT OF AQUATIC ORGANISMS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-05-16 — — US disclosed
EP-0913392-A1 ETHYLENE DERIVATIVES AND PEST CONTROLLING AGENTS NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1999-05-06 — — EP disclosed
CN-1182738-A Method for preparing benzene ring nonyl ester INST OF POISON AND MEDICINE MI (CN) 1998-05-27 — — CN disclosed
EP-0370320-B1 LACTAMIMIDES IN THE TREATMENT OF DRUG-RESISTANT PROTOZOAL INFECTIONS MERRELL DOW PHARMACEUTICALS INC. (US) 1992-09-30 — — EP disclosed
US-4211867-A ANTISECRETORY AGENTS, HYPOGLYCEMIC AGENTS, ANTIARRHYTHMIA AGENTS MCNEIL LABORATORIES, INCORPORATED (US) 1980-07-08 — — 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-20110105549-A1 BRANCHED 3- AND 6-SUBSTITUTED QUINOLINES AS CGRP RECEPTORS ANTAGONISTS GALR3, BDKRB2, CCKBR ALDH1A1 2896/4885GAA 1637/4885RECQL 591/4885
US-20190292194-A1 INHIBITORS OF ERK AND METHODS OF USE MAP3K1, MAP3K2, MAP3K6 ALDH1A1 2763/4885GAA 2462/4885RECQL 3078/4885

“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.