SCHEMBL841001

SCHEMBL841001

C=C1C(=O)C(C(C)C)=C1O

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL22644817 0.74 KDM4E (0.35) KDM4EALDH1A1TDP1MEN1MAPT
SCHEMBL13239929 0.72 CTSD (0.31)
SCHEMBL9175310 0.68 DUSP3 (0.52) KDM4EALDH1A1TDP1MEN1MAPT
SCHEMBL10053454 0.68 KDM4E (0.30) KDM4EALDH1A1TDP1MEN1MAPT
SCHEMBL3413343 0.67 CDC25A (0.37)
SCHEMBL17532554 0.67 CDC25A (0.38) KDM4EALDH1A1TDP1MEN1MAPT
SCHEMBL12619913 0.66
SCHEMBL840081 0.65 MEN1 (0.33) MEN1KMT2A
SCHEMBL10029595 0.65
SCHEMBL15982100 0.65 KDM4E (0.36) KDM4EALDH1A1MEN1MAPTKMT2A

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286933-A1 2,5-ARYL-THIAZOLE ANALOGS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SOUTHERN RES INST (US) 2023-09-14 US disclosed
US-11718593-B2 2,5-aryl-thiazole analogs for the treatment of neurodegenerative diseases SOUTHERN RESEARCH INSTITUTE (US) 2023-08-08 US disclosed
US-10767030-B2 Optical article and optical filter comprising same LMS CO., LTD. 2020-09-08 US disclosed
US-20190055375-A1 OPTICAL ARTICLE AND OPTICAL FILTER COMPRISING SAME LMS Co.,Ltd. (KR) 2019-02-21 US disclosed
US-9981910-B2 Substituted pyrrolidines and methods of use ABBVIE S.Á.R.L. (LU) 2018-05-29 US disclosed
US-20180099932-A1 Substituted Pyrrolidines and Methods of Use GALAPAGOS NV (BE) 2018-04-12 US disclosed
US-9725442-B2 Heterocyclic derivative having PGD2 receptor antagonist activity SHIONOGI & CO., LTD. (JP) 2017-08-08 US disclosed
EP-2917218-B1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS ENSEMBLE THERAPEUTICS CORP (US) 2017-01-04 EP disclosed
US-9453051-B2 Cyclosporin derivatives MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2016-09-27 US disclosed
US-9440938-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2016-09-13 US disclosed
US-20150158833-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO (JP) 2015-06-11 US disclosed
US-20150045545-A1 SORBENT COMPRISING ON ITS SURFACE AN AROMATIC RING SYSTEM HAVING AN ANIONIC OR DEPROTONIZABLE GROUP FOR THE PURIFICATION OF ORGANIC MOLECULES INSTRACTION GMBH (DE) 2015-02-12 US disclosed
US-20140343261-A1 SORBENT COMPRISING ON ITS SURFACE AN ALIPHATIC UNIT HAVING AN ANIONIC OR DEPROTONIZABLE GROUP FOR THE PURIFICATION OF ORGANIC MOLECULES INSTRACTION GMBH (DE) 2014-11-20 US disclosed
US-20140316104-A1 CYCLOSPORIN DERIVATIVES LEAD DISCOVER CENTER GMBH (DE) 2014-10-23 US disclosed
US-20140275074-A1 HETEROCYCLIC DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONIST ACTIVITY SHIONOGI & CO., LTD. (JP) 2014-09-18 US disclosed
US-20140243512-A1 SORBENT COMPRISING AN AROMATIC RING SYSTEM ON ITS SURFACE FOR THE PURIFICATION OF ORGANIC MOLECULES INSTRACTION GMBH (DE) 2014-08-28 US disclosed
US-8623903-B2 Indolecarboxylic acid derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2014-01-07 US disclosed
US-20120142687-A1 INDOLECARBOXYLIC ACID DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY KUGIMIYA AKIRA (JP) 2012-06-07 US disclosed
US-8143285-B2 Indolecarboxylic acid derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-27 US disclosed
US-20110028717-A1 AZAINDOLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY KUGIMIYA AKIRA 2011-02-03 US 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 (10 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-20140275074-A1 HETEROCYCLIC DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONIST ACTIVITY PTGDR, PTGDR2, PTGER4 KDM4E 1929/4885ALDH1A1 2912/4885TDP1 4400/4885
US-20150158833-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY PTGDR, PTGDR2, CNR2 KDM4E 2626/4885ALDH1A1 1440/4885TDP1 4783/4885
US-11718593-B2 2,5-aryl-thiazole analogs for the treatment of neurodegenerative diseases SMN1; SMN2, TDP2, TDP1 KDM4E 1619/4885ALDH1A1 1090/4885TDP1 3/4885
US-20110028717-A1 AZAINDOLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY PTGDR, HRH2, PTGDR2 KDM4E 1882/4885ALDH1A1 2051/4885TDP1 4598/4885
US-20150045545-A1 SORBENT COMPRISING ON ITS SURFACE AN AROMATIC RING SYSTEM HAVING AN ANIONIC OR DEPROTONIZABLE GROUP FOR THE PURIFICATION OF ORGANIC MOLECULES ABCG2, SORBS1, MAOA KDM4E 515/4885ALDH1A1 200/4885TDP1 2964/4885
US-20180099932-A1 Substituted Pyrrolidines and Methods of Use CFTR, PKD1, PKD2 KDM4E 2512/4885ALDH1A1 563/4885TDP1 2550/4885
US-20140316104-A1 CYCLOSPORIN DERIVATIVES CHP1, RYR2, CANX KDM4E 3080/4885ALDH1A1 4482/4885TDP1 1971/4885
US-20140343261-A1 SORBENT COMPRISING ON ITS SURFACE AN ALIPHATIC UNIT HAVING AN ANIONIC OR DEPROTONIZABLE GROUP FOR THE PURIFICATION OF ORGANIC MOLECULES EPCAM, SLCO2B1, SLCO4C1 KDM4E 1352/4885ALDH1A1 74/4885TDP1 3336/4885
US-20120142687-A1 INDOLECARBOXYLIC ACID DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY PTGDR, CYSLTR1, CYSLTR2 KDM4E 2154/4885ALDH1A1 2398/4885TDP1 4053/4885
US-20230286933-A1 2,5-ARYL-THIAZOLE ANALOGS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SMN1; SMN2, TDP2, TDP1 KDM4E 1619/4885ALDH1A1 1090/4885TDP1 3/4885

“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.