SCHEMBL731013

SCHEMBL731013

CCOc1cc(C(=O)OC)cc(OCC)c1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
CREBBP Q92793 1/20 0.49
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
TSHR P16473 4/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NOTUM Q6P988 1/20 0.46
MAPT P10636 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
MEN1 O00255 2/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 2/20 0.44

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
SCHEMBL732996 0.95 TSHR (0.50) LMNACREBBPNCOA1NCOA3TSHR
SCHEMBL9276266 0.90 LMNA (0.51) LMNACREBBPNCOA1NCOA3TSHR
SCHEMBL25902203 0.89 LMNA (0.49) LMNACREBBPNCOA1NCOA3TSHR
SCHEMBL289285 0.86 CA12 (0.55) LMNANCOA1NCOA3TSHRKMT2A
SCHEMBL644548 0.84 EGFR (0.47) LMNATSHRKDM4EL3MBTL1NOTUM
SCHEMBL28030473 0.84 TSHR (0.66) LMNATSHRKMT2AMEN1GAA
SCHEMBL29633582 0.84 KDM4E (0.51) LMNACREBBPTSHRKMT2AKDM4E
SCHEMBL25980852 0.83 LMNA (0.52) LMNACREBBPNCOA1NCOA3TSHR
SCHEMBL16049802 0.82 LMNA (0.51) LMNACREBBPNCOA1NCOA3TSHR
SCHEMBL3576601 0.82 LMNA (0.57) LMNACREBBPNCOA1NCOA3TSHR

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
CN-113710668-B Condensed azines for EP300 or CBP modulation and indications thereof OPNA生物公司 2025-01-07 CN disclosed
US-11446287-B2 Compounds and methods for EP300 or CBP modulation and indications therefor OPNA IMMUNO-ONCOLOGY SA (CH) 2022-09-20 US disclosed
EP-3953351-A1 CONDENSED AZINES FOR EP300 OR CBP MODULATION AND INDICATIONS THEREFOR Plexxikon Inc. (US) 2022-02-16 EP disclosed
CN-113710668-A Condensed azines for EP300 or CBP modulation and indications therefor 普莱希科公司 2021-11-26 CN disclosed
US-20210315872-A1 COMPOUNDS AND METHODS FOR EP300 or CBP MODULATION AND INDICATIONS THEREFOR Opna Bio SA (CH) 2021-10-14 US disclosed
WO-2020210366-A1 CONDENSED AZINES FOR EP300 OR CBP MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2020-10-15 WO disclosed
EP-2307422-B1 NOVEL SPIROCHROMANONE CARBOXYLIC ACIDS MSD KK (JP) 2014-03-26 EP disclosed
US-8524730-B2 Spirochromanone carboxylic acids MSD K.K. (JP) 2013-09-03 US disclosed
EP-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
EP-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
EP-2307422-A1 NOVEL SPIROCHROMANONE CARBOXYLIC ACIDS Banyu Pharmaceutical Co., Ltd. (JP) 2011-04-13 EP disclosed
US-20110077262-A1 NOVEL SPIROCHROMANONE CARBOXYLIC ACIDS MSD K.K. (JP) 2011-03-31 US disclosed
WO-2010002010-A1 NOVEL SPIROCHROMANONE CARBOXYLIC ACIDS BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-01-07 WO disclosed
EP-2120569-A2 SPIROCHROMANON DERIVATIVES Merck & Co., Inc. (US) 2009-11-25 EP disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 WO disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 WO 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 (4 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-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 LMNA 2503/4885CREBBP 3128/4885NCOA1 351/4885
US-20110077262-A1 NOVEL SPIROCHROMANONE CARBOXYLIC ACIDS CNKSR1, CBR1, CBR3 LMNA 1932/4885CREBBP 2380/4885NCOA1 334/4885
US-11446287-B2 Compounds and methods for EP300 or CBP modulation and indications therefor EP300, CREBBP, HDAC11 LMNA 637/4885CREBBP 2/4885NCOA1 10/4885
US-20210315872-A1 COMPOUNDS AND METHODS FOR EP300 or CBP MODULATION AND INDICATIONS THEREFOR EP300, CREBBP, HDAC11 LMNA 641/4885CREBBP 2/4885NCOA1 10/4885

“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.