SCHEMBL6538723

SCHEMBL6538723

CC(C)CCOc1ccc(C(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 1.00
RARB P10826 4/20 0.74
NR1H4 Q96RI1 1/20 0.63
PKM P14618 1/20 0.62
EPHX2 P34913 1/20 0.61
TSHR P16473 3/20 0.60
TP53 P04637 1/20 0.60
HSD17B10 Q99714 2/20 0.59
ALDH1A1 P00352 1/20 0.59
THRB P10828 1/20 0.59
PLA2G4B P0C869 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
USP2 O75604 1/20 0.57
ALOX15 P16050 1/20 0.57
HTT P42858 2/20 0.56
GAA P10253 1/20 0.56
KMT2A Q03164 1/20 0.55

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
SCHEMBL13287468 0.92 MAPK1 (0.85) MAPK1RARBNR1H4PKMEPHX2
SCHEMBL6539739 0.91 MAPK1 (0.84) MAPK1RARBPKMTSHRTP53
SCHEMBL9813425 0.88 RARB (0.88) MAPK1RARBNR1H4PKMTSHR
SCHEMBL10535460 0.88 RARB (0.88) MAPK1RARBNR1H4PKMTSHR
SCHEMBL10535685 0.88 RARB (0.88) MAPK1RARBNR1H4PKMTSHR
SCHEMBL10537317 0.88 RARB (0.88) MAPK1RARBNR1H4PKMTSHR
SCHEMBL10334195 0.88 RARB (0.88) MAPK1RARBNR1H4PKMTSHR
SCHEMBL15449670 0.88 MAPK1 (0.77) MAPK1RARBNR1H4PKMTSHR
SCHEMBL10785289 0.88 MAPK1 (0.77) MAPK1RARBNR1H4PKMTSHR
SCHEMBL28520501 0.88 MAPK1 (0.77) MAPK1RARBNR1H4PKMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103923765-A Detergent Composition For Process Of Manufacturing Semiconductors And Displays COWON INNOTECH INC 2014-07-16 CN claimed
CN-109054648-A Serosity combination for chemically mechanical polishing LTCAM有限公司 2018-12-21 CN disclosed
US-9869027-B2 Cleaning composition and method of manufacturing metal wiring using the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-16 US disclosed
US-9700543-B2 GLP-1 receptor stabilizers and modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-07-11 US disclosed
EP-2713722-B1 NOVEL GLP-1 RECEPTOR STABILIZERS AND MODULATORS RECEPTOS LLC (US) 2017-03-15 EP disclosed
US-20160310471-A1 NOVEL GLP-1 RECEPTOR STABILIZERS AND MODULATORS RECEPTOS LLC 2016-10-27 US disclosed
US-20160230289-A1 CLEANING COMPOSITION AND METHOD OF MANUFACTURING METAL WIRING USING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2016-08-11 US disclosed
EP-2595989-B1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2016-07-13 EP disclosed
US-9340759-B2 Cleaning composition and method of manufacturing metal wiring using the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-05-17 US disclosed
US-9278910-B2 GLP-1 receptor stabilizers and modulators RECEPTOS, INC. (US) 2016-03-08 US disclosed
EP-2261213-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-12-15 EP disclosed
WO-2009131274-A1 SYNTHESIS OF PHOTOINITIATOR FREE REACTIVE MESOGENS BASED ON TRIPHENYLENE KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2009-10-29 WO disclosed
US-6812235-B2 2-ACYLAMINO- BETA -ALANINE DERIVATIVES AND A PHARMACEUTICALLY ACCEPTABLE SALT, USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-02 US disclosed
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ASTELLAS PHARMA INC. (JP) 2003-01-23 US disclosed
EP-1255748-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-13 EP disclosed
EP-0454501-B1 Benzylidenethiazolidine derivatives, their preparation and their use for the inhibition of lipid peroxides SANKYO CO (JP) 2001-09-05 EP disclosed
WO-2001060813-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO disclosed
EP-0839812-A1 Preparation of benzylthiazolidine derivatives Sankyo Company Limited (JP) 1998-05-06 EP disclosed
US-5387596-A Treating arteriosclerosis SANKYO COMPANY, LIMITED (JP) 1995-02-07 US disclosed
EP-0454501-A2 Benzylidenethiazolidine derivatives, their preparation and their use for the inhibition of lipid peroxides Sankyo Company Limited (JP) 1991-10-30 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-20160310471-A1 NOVEL GLP-1 RECEPTOR STABILIZERS AND MODULATORS GLP1R, GIPR, GHSR MAPK1 1370/4885RARB 2721/4885NR1H4 1673/4885
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ARRB1, ADRB1, GLRB MAPK1 1483/4885RARB 322/4885NR1H4 42/4885

“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.