SCHEMBL6924726

SCHEMBL6924726

COc1cc(C(=O)Cl)ccc1OC(C)=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.73
RAB9A P51151 2/20 0.59
ALDH1A1 P00352 2/20 0.59
GAA P10253 2/20 0.59
KDM4E B2RXH2 1/20 0.59
PKM P14618 2/20 0.57
NPC1 O15118 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
MAPT P10636 2/20 0.54
NR3C1 P04150 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA7 P43166 1/20 0.53

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
SCHEMBL30743049 1.00 TSHR (0.73) TSHRRAB9AALDH1A1GAAKDM4E
SCHEMBL1808274 0.93 TSHR (0.63) TSHRRAB9AALDH1A1GAAKDM4E
SCHEMBL8830836 0.91 TSHR (0.70) TSHRRAB9AALDH1A1GAAKDM4E
SCHEMBL184025 0.87 TSHR (0.70) TSHRALDH1A1GAASMN1; SMN2CYP1A2
SCHEMBL29521706 0.87 TSHR (0.70) TSHRALDH1A1GAASMN1; SMN2CYP1A2
SCHEMBL2997461 0.86 TSHR (0.77) TSHRRAB9AALDH1A1GAAKDM4E
Hydrochloric Acid SCHEMBL8590467 0.85 TSHR (0.68) TSHRALDH1A1GAASMN1; SMN2CYP1A2
SCHEMBL1356474 0.85 MAPT (0.57) TSHRRAB9AALDH1A1GAAKDM4E
SCHEMBL111732 0.84 TSHR (1.00) TSHRRAB9AALDH1A1GAAKDM4E
SCHEMBL23467802 0.83 TSHR (0.73) TSHRRAB9AALDH1A1GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2953926-B1 POSITION-SPECIFIC ASYMMETRIC DEUTERIUM ENRICHED CATECHOLAMINE DERIVATIVES AND MEDICAMENTS COMPRISING SAID COMPOUNDS TEVA PHARMACEUTICALS INT GMBH (CH) 2021-10-20 EP disclosed
US-20210094904-A1 POSITION-SPECIFIC ASYMMETRIC DEUTERIUM ENRICHED CATECHOLAMINE DERIVATIVES AND MEDICAMENTS COMPRISING SAID COMPOUNDS TEVA PHARMACEUTICALS INT GMBH (CH) 2021-04-01 US disclosed
US-20200163918-A1 POSITION-SPECIFIC ASYMMETRIC DEUTERIUM ENRICHED CATECHOLAMINE DERIVATIVES AND MEDICAMENTS COMPRISING SAID COMPOUNDS TEVA PHARMACEUTICALS INT GMBH (CH) 2020-05-28 US disclosed
US-20200121812-A1 Combination of Deuterated Levodopa With Carbidopa and Opicapone For The Treatment of Parkinson's Disease TEVA PHARMACEUTICALS INT GMBH (CH) 2020-04-23 US disclosed
CN-110577475-A Ambroxol derivative, and preparation method, pharmaceutical composition and application thereof 北京华睿鼎信科技有限公司 2019-12-17 CN disclosed
US-20180116989-A1 Position-Specific Asymmetric Deuterium Enriched Catecholamine Derivatives And Medicaments Comprising Said Compounds TEVA PHARMACEUTICALS INT GMBH (CH) 2018-05-03 US disclosed
US-20180116989-A1 Position-Specific Asymmetric Deuterium Enriched Catecholamine Derivatives And Medicaments Comprising Said Compounds TEVA PHARMACEUTICALS INT GMBH (CH) 2018-05-03 US disclosed
US-9763904-B2 Position-specific asymmetric deuterium enriched catecholamine derivatives and medicaments comprising said compounds TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2017-09-19 US disclosed
US-9763904-B2 Position-specific asymmetric deuterium enriched catecholamine derivatives and medicaments comprising said compounds TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2017-09-19 US disclosed
US-20170165381-A1 Combination of Deuterated Levodopa With Carbidopa and Opicapone For The Treatment of Parkinson's Disease TEVA PHARMACEUTICALS INT GMBH (CH) 2017-06-15 US disclosed
US-6020368-A MICROBIOCIDES HINKS JEREMY DAVID (US) 2000-02-01 US disclosed
WO-1999040088-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS, IN PARTICULAR AS UROKINASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-08-12 WO disclosed
CN-1214039-A Carbamoyloxy derivatives of mutiline and their use as antibacterials SMITHKLINE BEECHAM PLC (GB) 1999-04-14 CN disclosed
EP-0874809-A1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1998-11-04 EP disclosed
US-5661153-A FOR TREATING ALLERGIES, ASTHMA, DERMATITIS, GRAFT REJECTIONS JAPAN ENERGY CORPORATION (JP) 1997-08-26 US disclosed
WO-1997025309-A1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1997-07-17 WO disclosed
EP-0700908-A1 1-Arylpyrimidine derivatives and pharmaceutical use thereof JAPAN ENERGY CORPORATION (JP) 1996-03-13 EP disclosed
US-5488160-A LEUKOTRIENE B4 RECEPTOR ANTAGONIST AS ANTIINFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1996-01-30 US disclosed
US-5451700-A Leukotriene inhibitors CIBA-GEIGY CORPORATION (US) 1995-09-19 US disclosed
EP-0061157-A1 2-Benzoylamino substituted benzylamine derivative and a process for preparation thereof Hokuriku Pharmaceutical Co.,Ltd (JP) 1982-09-29 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 (5 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-20210094904-A1 POSITION-SPECIFIC ASYMMETRIC DEUTERIUM ENRICHED CATECHOLAMINE DERIVATIVES AND MEDICAMENTS COMPRISING SAID COMPOUNDS COMT, CHRM1, ADRB3 TSHR 1594/4885RAB9A 1932/4885ALDH1A1 2132/4885
US-20200121812-A1 Combination of Deuterated Levodopa With Carbidopa and Opicapone For The Treatment of Parkinson's Disease COMT, PNMT, THOP1 TSHR 3113/4885RAB9A 991/4885ALDH1A1 426/4885
US-20170165381-A1 Combination of Deuterated Levodopa With Carbidopa and Opicapone For The Treatment of Parkinson's Disease COMT, PNMT, THOP1 TSHR 3113/4885RAB9A 991/4885ALDH1A1 426/4885
US-20200163918-A1 POSITION-SPECIFIC ASYMMETRIC DEUTERIUM ENRICHED CATECHOLAMINE DERIVATIVES AND MEDICAMENTS COMPRISING SAID COMPOUNDS COMT, CHRM1, ADRB3 TSHR 1594/4885RAB9A 1932/4885ALDH1A1 2132/4885
US-20180116989-A1 Position-Specific Asymmetric Deuterium Enriched Catecholamine Derivatives And Medicaments Comprising Said Compounds COMT, CHRM1, ADRB3 TSHR 1594/4885RAB9A 1932/4885ALDH1A1 2132/4885

“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.