SCHEMBL4438129

SCHEMBL4438129

COc1ccc(C(C)Br)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.50
CA2 P00918 3/20 0.50
CA1 P00915 2/20 0.50
PPARG P37231 1/20 0.50
PPARD Q03181 1/20 0.50
PPARA Q07869 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 1/20 0.44
MAPT P10636 2/20 0.43

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
SCHEMBL3884192 0.84 PPARG (0.52) ACHECA2CA1PPARGPPARD
SCHEMBL29130999 0.83 MAPT (0.42) HPGDGAAMAPTALDH1A1
SCHEMBL10608754 0.83 ACHE (0.54) ACHECA2CA1PPARGPPARD
SCHEMBL84033 0.82 PPARG (0.53) ACHECA2CA1PPARGPPARD
SCHEMBL24509816 0.82 GRM2 (0.38) ACHECA2CA1PPARGPPARD
SCHEMBL6705742 0.82 CYP2D6 (0.45) CA2CA1KMT2ACA7CA9
SCHEMBL9774382 0.82 LMNA (0.44) KMT2AALDH1A1LMNA
SCHEMBL27710622 0.81 PPARG (0.58) ACHECA2CA1PPARGPPARD
SCHEMBL13955907 0.79 PPARG (0.55) ACHECA2CA1PPARGPPARD
SCHEMBL10865232 0.79 PPARG (0.51) ACHECA2CA1PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023202559-A1 PHENYL ACRYLIC ACID COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF 朗捷睿(苏州)生物科技有限公司 2023-10-26 WO disclosed
CN-111777501-B Caffeic acid phenethyl ester derivatives, preparation method thereof, pharmaceutical compositions thereof and application thereof 中国医学科学院药物研究所 2022-09-16 CN disclosed
EP-2871187-B1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SNU R&DB FOUNDATION (KR) 2017-09-20 EP disclosed
EP-2877470-B1 BICYCLIC AZA-AMIDES FOR TREATMENT OF PSYCHIATRIC DISORDERS MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WSS E V (DE) 2017-09-13 EP disclosed
US-9745280-B2 Compound or pharmaceutically acceptable salt thereof, and pharmaceutical composition containing same as active ingredient SNU R&DB FOUNDATION (KR) 2017-08-29 US disclosed
US-20160340331-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SNU R&DB FOUNDATION (KR) 2016-11-24 US disclosed
US-9371322-B2 Bicyclic aza-amides for treatment of psychiatric disorders MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-06-21 US disclosed
CN-105085450-A Benzofuran derivatives, and preparation method and therapeutic action thereof UNIV CHINA PHARMA 2015-11-25 CN disclosed
US-20150183797-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SNU R&DB FOUNDATION (KR) 2015-07-02 US disclosed
US-20150183786-A1 BICYCLIC AZA-AMIDES FOR TREATMENT OF PSYCHIATRIC DISORDERS MAX-PLANCK-GESSELSCHAFT ZUR FÖRDERUNG DER WISSENSCHAFTEN E.V. (DE) 2015-07-02 US disclosed
CN-103848757-A PROCESS FOR SYNTHESIS OF 3-(2-BROMO-4,5-DIMETHOXYPHENYL)PROPANENITRILE, AND APPLICATION IN SYNTHESIS OF IVABRADINE SERVIER LAB 2014-06-11 CN disclosed
WO-2014015993-A1 BICYCLIC AZA-AMIDES FOR TREATMENT OF PSYCHIATRIC DISORDERS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-01-30 WO disclosed
EP-2690102-A1 Bicyclic aza-amides for treatment of psychiatric disorders Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-01-29 EP disclosed
EP-2125736-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS Leo Pharma A/S (DK) 2009-12-02 EP disclosed
WO-2008077404-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA A/S (DK) 2008-07-03 WO disclosed
EP-0253327-B1 DIPHENYLPROPYLAMINE DERIVATIVES, THEIR PREPARATION AND THEIR PHARMACEUTICAL USE CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1992-05-06 EP disclosed
US-4988730-A Treatment of angina or arrhythmia CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYAR RT (HU) 1991-01-29 US disclosed
EP-0253327-A2 Diphenylpropylamine derivatives, their preparation and their pharmaceutical use CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1988-01-20 EP disclosed
EP-0030749-B1 CARBOXIMIDAMIDE DERIVATIVES, A PROCESS FOR PREPARING THEM AND PHARMACEUTICAL PREPARATIONS CONTAINING SAME AKZO N.V. (NL) 1983-08-17 EP disclosed
EP-0030749-A1 Carboximidamide derivatives, a process for preparing them and pharmaceutical preparations containing same AKZO N.V. (NL) 1981-06-24 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 (3 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-20150183797-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT HSP90AB1, HSP90AA1, HIF1AN ACHE 4868/4885CA2 534/4885CA1 2309/4885
US-20150183786-A1 BICYCLIC AZA-AMIDES FOR TREATMENT OF PSYCHIATRIC DISORDERS BDNF, MAOA, HDAC10 ACHE 150/4885CA2 4726/4885CA1 2505/4885
US-20160340331-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT HSP90AB1, HSP90AA1, HSP90AB2P ACHE 4870/4885CA2 749/4885CA1 2925/4885

“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.