SCHEMBL3580439

SCHEMBL3580439

CC1(C)CC(O)c2ccccc2O1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TLR3 O15455 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
TRPV1 Q8NER1 6/20 0.39
KCNE1 P15382 1/20 0.39
KCNQ1 P51787 1/20 0.39
HTT P42858 1/20 0.38
HTR2B P41595 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL15021653 1.00 MEN1 (0.43) MEN1KMT2ATLR3MAOAMAOB
SCHEMBL31253977 1.00 MEN1 (0.43) MEN1KMT2ATLR3MAOAMAOB
SCHEMBL13573386 1.00 MEN1 (0.43) MEN1KMT2ATLR3MAOAMAOB
Alcohol SCHEMBL10531474 0.93 KCNE1 (0.42) MEN1KMT2ATLR3MAOAMAOB
SCHEMBL5733934 0.82 KCNE1 (0.38) MAOAMAOBKCNE1KCNQ1HTT
SCHEMBL24043239 0.81 HTT (0.39) MAOAMAOBTRPV1KCNE1KCNQ1
SCHEMBL23746634 0.79 ALDH1A1 (0.42) KMT2ATRPV1HTTLMNA
SCHEMBL24075724 0.79 ALDH1A1 (0.42) KMT2ATRPV1HTTLMNA
SCHEMBL13257631 0.79 ALDH1A1 (0.42) KMT2ATRPV1HTTLMNA
SCHEMBL24090500 0.79 KMT2A (0.36) KMT2ATRPV1HTTLMNA

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119923278-A Dendrimer compositions for targeted delivery of fantasy therapeutic agents 约翰霍普金斯大学 2025-05-02 CN disclosed
CN-117642383-A Crystalline salts of dimethyl-4-hydroxytryptamine 卡纳-化学有限责任公司 2024-03-01 CN disclosed
CN-114262250-A Synthetic method of aromatic ring benzyl ortho-position dialkyl 乐威医药(江苏)股份有限公司 2022-04-01 CN disclosed
WO-2020223536-A1 SUBSTITUTED CYCLOLAKYLS AS MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2020-11-05 WO disclosed
WO-2015142903-A2 METHOD OF CONTROLLING LACTATE PRODUCTION WITH PIPERDINE-DIONE DERIVATIVES GENENTECH, INC. (US) 2015-09-24 WO disclosed
WO-2015140133-A1 PIPERIDINE-DIONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-09-24 WO disclosed
US-8859584-B2 TRPV1 antagonists ABBVIE, INC. (US) 2014-10-14 US disclosed
CN-103342700-A 11[beta]-hydroxysteroid dehydrogenase type 1 inhibitor TONGHUA JIDA PHARMACEUTICAL CO LTD 2013-10-09 CN disclosed
US-20130158067-A1 TRPV1 Antagonists ABBVIE INC. (US) 2013-06-20 US disclosed
US-7662811-B2 N-(((5R)-5-((1-methylethyl)amino)-5,6,7,8-tetrahydro-2-naphthalenyl)methyl)-2-((2R)-1-((4-methylphenyl)sulfonyl)-3-oxo-1,2,3,4-tetrahydro-2-pyrazinyl)acetamide; for treatment of pain and diseases, such as inflammation mediated diseases AMGEN INC. (US) 2010-02-16 US disclosed
US-7414068-B2 Benzopyran derivatives substituted with secondary amines including tetrazole, method for the preparation thereof and pharmaceutical compositions containing them DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2008-08-19 US disclosed
WO-2008007210-A2 NITROGENOUS N-SUBSTITUTED 4-SPIRO-HETEROCYCLIC 2, 2 -DIMETHYLCHROMANE DERIVATIVES UNIVERSITA' DI PISA (IT) 2008-01-17 WO disclosed
EP-1817294-A1 1,2,3,4-TETRAHYDROPYRAZIN-2-YL ACETAMIDES AND THEIR USE AS BRADYKININ ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION RELATED DISORDERS Amgen Inc. (US) 2007-08-15 EP disclosed
WO-2006019975-A1 1,2,3,4-TETRAHYDROPYRAZIN-2-YL ACETAMIDES AND THEIR USE AS BRADYKININ ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION RELATED DISORDERS AMGEN INC. (US) 2006-02-23 WO disclosed
US-20060025400-A1 1,2,3,4-Tetrahydropyrazin-2-yl acetamides and methods of use AMGEN INC. 2006-02-02 US disclosed
WO-1996026934-A1 SYNTHESIS OF OPTICALLY ACTIVE CALANOLIDES A AND B AND ENANTIOMERS AND RELATED COMPOUNDS THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) 1996-09-06 WO disclosed
EP-0446235-A1 PROCESS FOR THE PRODUCTION AND APPLICATION OF FUSION-ADHESIVE AND/OR SEALING COMPOUNDS WHICH CROSS-LINK UNDER THE ACTION OF HUMIDITY Henkel Kommanditgesellschaft auf Aktien (DE) 1991-09-18 EP disclosed
US-5043344-A Unsaturated N-benzopyranyllactams HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-27 US disclosed
WO-1990006332-A1 PROCESS FOR THE PRODUCTION AND APPLICATION OF FUSION-ADHESIVE AND/OR SEALING COMPOUNDS WHICH CROSS-LINK UNDER THE ACTION OF HUMIDITY HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1990-06-14 WO disclosed
EP-0337179-A1 Unsaturated N-benzopyranyllactams HOECHST AKTIENGESELLSCHAFT (DE) 1989-10-18 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 (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-20060025400-A1 1,2,3,4-Tetrahydropyrazin-2-yl acetamides and methods of use AADAC, PTGES2, LTC4S MEN1 4335/4885KMT2A 1654/4885TLR3 457/4885
US-20130158067-A1 TRPV1 Antagonists TRPV1, NPY1R, MRGPRX1 MEN1 3289/4885KMT2A 3154/4885TLR3 1554/4885

“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.