SCHEMBL1746782

SCHEMBL1746782

OCc1occ2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.40
CYP2A6 P11509 3/20 0.35
HSD17B10 Q99714 3/20 0.35
TSHR P16473 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
ENPP3 O14638 1/20 0.34
ENPP1 P22413 1/20 0.34
CYP1A2 P05177 2/20 0.33
KDM4E B2RXH2 2/20 0.33
TDO2 P48775 1/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HPRT1 P00492 1/20 0.32
PTPN22 Q9Y2R2 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
TRPM4 Q8TD43 1/20 0.31
NOTUM Q6P988 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL2961433 0.83 TDP1 (0.37) MAOBCYP2A6HSD17B10TSHRALDH1A1
SCHEMBL28869124 0.80 KDM4E (0.38) MAOBHSD17B10TSHRALDH1A1KDM4E
SCHEMBL10596740 0.79 KDM4E (0.40) MAOBHSD17B10TSHRALDH1A1KDM4E
SCHEMBL2094693 0.78 CYP2A6 (0.35) CYP2A6HSD17B10TSHRALDH1A1TDP1
SCHEMBL28268580 0.78 ALDH1A1 (0.35) CYP2A6HSD17B10TSHRALDH1A1TDP1
SCHEMBL6002448 0.78 ALDH1A1 (0.35) CYP2A6HSD17B10TSHRALDH1A1TDP1
SCHEMBL9739681 0.78 HTR2A (0.43) CYP2A6HSD17B10TSHRALDH1A1TDP1
SCHEMBL9935525 0.78 TDP1 (0.35) MAOBCYP2A6HSD17B10TSHRALDH1A1
SCHEMBL15058729 0.78 PTPN1 (0.33) MAOBCYP2A6HSD17B10TSHRALDH1A1
SCHEMBL27610645 0.78 ACP3 (0.34) CYP2A6HSD17B10TSHRALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110819641-B Application of olefin hydratase in preparation of primary alcohol 河南农业大学 2021-04-06 CN disclosed
CN-110819641-A Application of olefin hydratase in preparation of primary alcohol 河南农业大学 2020-02-21 CN disclosed
US-20150266839-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-09-24 US disclosed
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-08-13 US disclosed
US-9072758-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
US-9040525-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US disclosed
US-8765752-B2 3-hydroxyisothiazole 1-oxide derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-07-01 US disclosed
EP-1559422-B1 RECEPTOR FUNCTION CONTROLLING AGENT TAKEDA PHARMACEUTICAL (JP) 2014-04-30 EP disclosed
EP-2703394-A1 NOVEL 3-HYDROXYISOTHIAZOLE 1-OXIDE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2014-03-05 EP disclosed
EP-2703393-A1 CYCLIC AMIDE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2014-03-05 EP disclosed
US-5981755-A Tachykinin antagonists WARNER-LAMBERT COMPANY (US) 1999-11-09 US disclosed
US-5856354-A RESPIRATORY SYSTEM DISORDERS, ANTIINFLAMMATORY AGENTS, GASTROINTESTINAL DISORDERS, VISION DEFECTS, ANTIALLERGENS,PAIN, NERVOUS SYSTEM DISORDERS, HEADACHES WARNER-LAMBERT COMPANY (US) 1999-01-05 US disclosed
US-5716979-A NONPEPTIDES, UNIQUE IN ALKYLATION/SUBSTITUTION PATTERN ALONG THEIR BACKBONE, USEFUL FOR TREATING DISORDERS SUCH AS RESPIRATORY, INFLAMMATORY, GASTROINTESTINAL, OPHTHALMIC, ALLERGIES, PAIN, VASCULAR, MIGRANE, ARTHRITIS AND BRAIN WARNER-LAMBERT COMPANY (US) 1998-02-10 US disclosed
US-5594022-A CARBAMATES WARNER-LAMBERT COMPANY (US) 1997-01-14 US disclosed
US-5256626-A Herbicidal compositions safened by 5-heterocyclic-substituted oxazolidine dihaloacetamides compounds MONSANTO COMPANY (US) 1993-10-26 US disclosed
US-5225570-A Plant safening agents for crops treated with herbicides MONSANTO COMPANY (US) 1993-07-06 US disclosed
EP-0304409-B1 5-HETEROCYCLIC-SUBSTITUTED OXAZOLIDINE HALOACETAMIDES MONSANTO CO (US) 1992-10-28 EP disclosed
US-5134147-A Antipsychotic agents ADIR ET COMPAGNIE (FR) 1992-07-28 US disclosed
US-5100902-A Dopamine and Serotonin Antagonists, Antipsychotic Agents ADIR ET COMPAGNIE (FR) 1992-03-31 US disclosed
EP-0304409-A1 5-Heterocyclic-substituted oxazolidine haloacetamides MONSANTO COMPANY (US) 1989-02-22 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-20150266839-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR4A1 MAOB 4632/4885CYP2A6 2039/4885HSD17B10 695/4885
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR2C2 MAOB 4099/4885CYP2A6 1367/4885HSD17B10 229/4885

“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.