SCHEMBL780050

SCHEMBL780050

COCc1ccc(C(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.53
▸ LMNA P02545 1/20 0.48
▸ TYR P14679 1/20 0.48
▸ NR4A2 P43354 2/20 0.47
▸ RXRA P19793 1/20 0.47
▸ RXRB P28702 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ TSHR P16473 2/20 0.44
▸ RAB9A P51151 4/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ NR4A1 P22736 1/20 0.42
▸ NR4A3 Q92570 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ BCHE P06276 1/20 0.42
▸ ACHE P22303 1/20 0.42

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
SCHEMBL14205560 0.88 CYP1A2 (0.46) APPLMNATYRNR4A2RXRA
SCHEMBL11308991 0.88 APP (0.41) APPLMNANR4A2RXRARXRB
SCHEMBL10601214 0.86 ESR1 (0.48) APPNR4A2RXRARXRBPOLB
SCHEMBL4367676 0.83 APP (0.55) APPLMNATYRNR4A2RXRA
SCHEMBL12421573 0.82 ESR1 (0.41) APPLMNATYRNR4A2RXRA
SCHEMBL10357375 0.82 RORC (0.39) APPNR4A2RXRARXRBPOLB
SCHEMBL20892298 0.82 APP (0.38) APPNR4A2RXRARXRBPOLB
SCHEMBL134443 0.82 IDO1 (0.46) APPLMNATSHRTP53
SCHEMBL20999110 0.80 POLB (0.40) APPNR4A2RXRARXRBPOLB
SCHEMBL10180151 0.80 NPC1 (0.47) APPLMNAPOLBRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117865809-A Preparation method of musk with sunflower seeds 山东兴文工业技术研究院有限公司 2024-04-12 — — CN disclosed
US-11786528-B2 Pyrazolopyrimidine compounds as adenosine receptor antagonists EXSCIENTIA LTD. (GB) 2023-10-17 — — US disclosed
US-11701370-B2 Phosphonium ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-07-18 — — US disclosed
WO-2023121939-A1 SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2023-06-29 — — WO disclosed
US-11643404-B2 Ester substituted ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2023-05-09 — — US disclosed
US-20230075221-A1 SUBSTITUTED 1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVE AND PREPARATION METHOD, HERBICIDAL COMPOSITION AND APPLICATION THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-03-09 — — US disclosed
US-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-02-09 — — US disclosed
US-20210244721-A1 SMALL MOLECULE ENTEROVIRUS INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-08-12 — — US disclosed
US-11040028-B2 Penicinotam derivative, preparation method and use thereof OCEAN UNIVERSITY OF CHINA (CN) 2021-06-22 — — US disclosed
US-20210008045-A1 PANICINOTAM DERIVATIVE, PREPARATION METHOD AND USE THEREOF OCEAN UNIVERSITY OF CHINA (CN) 2021-01-14 — — US disclosed
EP-0638665-B1 Process for the preparation of benzaldehyde dialkyl acetals BASF AG (DE) 1996-10-30 — — EP disclosed
US-5507922-A ELECTROCHEMICAL OXIDATION OF SUBSTITUTED TOLUENE IN PRESENCE OF ALKANOL AND AN AUXILLARY ELECTROLYTE IN AN ELECTROLYTIC CELL; BATCH AND CONTINUOUS PROCESSING BASF AKTIENGESELLSCHAFT (DE) 1996-04-16 — — US disclosed
EP-0638665-A1 Process for the preparation of benzaldehyde dialkyl acetals BASF Aktiengesellschaft (DE) 1995-02-15 — — EP disclosed
EP-0393667-B1 PROCESS FOR THE PRODUCTION OF BENZYL METHYL ESTERS BASF Aktiengesellschaft (DE) 1993-06-23 — — EP disclosed
EP-0393667-A1 Process for the production of benzyl methyl esters BASF Aktiengesellschaft (DE) 1990-10-24 — — EP disclosed
EP-0129795-B1 PROCESS FOR MANUFACTURING BENZALDEHYDE DIALKYLACETALS BASF Aktiengesellschaft (DE) 1988-02-24 — — EP disclosed
US-4699698-A Preparation of benzoic acid ortho-esters and novel compounds of this type BASF AKTIENGESELLSCHAFT (DE) 1987-10-13 — — US disclosed
EP-0212509-A1 Process for manufacturing benzoic-acid orthoesters, and compounds of this class BASF Aktiengesellschaft (DE) 1987-03-04 — — EP disclosed
US-4539081-A ELECTROCHEMICAL OXIDATION IN ALKANOL CONTAINING SULFONIC ACID BASF AKTIENGESELLSCHAFT (DE) 1985-09-03 — — US disclosed
EP-0129795-A2 Process for manufacturing benzaldehyde dialkylacetals BASF Aktiengesellschaft (DE) 1985-01-02 — — EP 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 (8 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-20210244721-A1 SMALL MOLECULE ENTEROVIRUS INHIBITORS AND USES THEREOF AR, KLK3, BRDT APP 4440/4885LMNA 4000/4885TYR 4544/4885
US-11786528-B2 Pyrazolopyrimidine compounds as adenosine receptor antagonists ADORA1, ADORA3, ADORA2A APP 3729/4885LMNA 4527/4885TYR 1968/4885
US-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF CYP2B6, CBR3, CYP2A6 APP 4558/4885LMNA 4482/4885TYR 2434/4885
US-20230075221-A1 SUBSTITUTED 1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVE AND PREPARATION METHOD, HERBICIDAL COMPOSITION AND APPLICATION THEREOF TH, CYP4X1, CYP4B1 APP 2625/4885LMNA 3067/4885TYR 28/4885
US-11040028-B2 Penicinotam derivative, preparation method and use thereof TPMT, MAPT, TLR4 APP 162/4885LMNA 2825/4885TYR 825/4885
US-11701370-B2 Phosphonium ion channel blockers and methods for use TRPV1, TRPV5, TRPA1 APP 534/4885LMNA 3757/4885TYR 2271/4885
US-11643404-B2 Ester substituted ion channel blockers and methods for use TRPV1, TRPA1, TRPV2 APP 461/4885LMNA 2730/4885TYR 1451/4885
US-20210008045-A1 PANICINOTAM DERIVATIVE, PREPARATION METHOD AND USE THEREOF TPMT, PBRM1, PGM2 APP 172/4885LMNA 3279/4885TYR 820/4885

“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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