SCHEMBL9446223

SCHEMBL9446223

CC(C)(C)c1ccccc1OCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.71
RXRB P28702 2/20 0.71
RXRG P48443 2/20 0.71
MAPT P10636 2/20 0.58
MAPK1 P28482 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
SGMS2 Q8NHU3 1/20 0.57
LIPE Q05469 1/20 0.53
NISCH Q9Y2I1 1/20 0.53
ALOX5AP P20292 1/20 0.51
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
GAA P10253 2/20 0.50
TP53 P04637 1/20 0.50
HTR1A P08908 1/20 0.50
DRD2 P14416 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
Formaldehyde SCHEMBL27873826 0.95 RXRA (0.70) RXRARXRBRXRGMAPTMAPK1
SCHEMBL14584418 0.86 RXRA (0.60) RXRARXRBRXRGMAPTMAPK1
SCHEMBL448037 0.85 RXRA (0.55) RXRARXRBRXRGMAPTMAPK1
SCHEMBL25946400 0.84 RXRA (0.55) RXRARXRBRXRGMAPTMAPK1
SCHEMBL6723921 0.84 RXRA (0.58) RXRARXRBRXRGMAPTMAPK1
SCHEMBL6238028 0.84 RXRA (1.00) RXRARXRBRXRGALDH1A1KDM4E
SCHEMBL1681361 0.84 RXRA (0.54) RXRARXRBRXRGMAPTMAPK1
SCHEMBL30042662 0.83 RXRA (0.53) RXRARXRBRXRGMAPTMAPK1
SCHEMBL16797619 0.82 RXRA (0.56) RXRARXRBRXRGMAPTMAPK1
SCHEMBL11916144 0.82 RXRA (0.52) RXRARXRBRXRGMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210221784-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN UNIVERSITÉ DE STRASBOURG (FR) 2021-07-22 US disclosed
US-9403835-B2 Tetraaza-cyclopenta[a]indenyl and their use as positive allosteric modulators ARES TRADING S.A. (CH) 2016-08-02 US disclosed
US-9403835-B2 Tetraaza-cyclopenta[a]indenyl and their use as positive allosteric modulators ARES TRADING S.A. (CH) 2016-08-02 US disclosed
US-9321735-B2 Insecticidal triazines and pyrimidines Vestaron Corporation (US) 2016-04-26 US disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
US-8785630-B2 Insecticidal triazines and pyrimidines Vestaron Corporation (US) 2014-07-22 US disclosed
US-20130267705-A1 Insecticidal Triazines and Pyrimidines Vestaron Corporation (US) 2013-10-10 US disclosed
US-8389718-B2 Insecticidal triazines and pyrimidines Vestaron Corporation (US) 2013-03-05 US disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
US-7321061-B2 Processes for the preparation of aryl- and heteroaryl-alkylsulfonyl halides WYETH (US) 2008-01-22 US disclosed
US-7321061-B2 Processes for the preparation of aryl- and heteroaryl-alkylsulfonyl halides WYETH (US) 2008-01-22 US disclosed
US-20070135600-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-14 US disclosed
US-20070135600-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-14 US disclosed
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION 2007-02-22 US disclosed
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-02-01 US disclosed
US-5196606-A Aromatic tertiary amines, enamines, deoxybenzoins and benzils HAY ALLAN S (CA) 1993-03-23 US disclosed
US-5117062-A Aromatic tertiary amines, enamines, deoxybenzoins and benzils HAY ALLAN S (CA) 1992-05-26 US disclosed
US-5011998-A Aromatic tertiary amines, enamines, deoxybenzoins and benzils HAY ALLAN S (CA) 1991-04-30 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 (7 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-20210221784-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN ACHE, TRPV1, OPRL1 RXRA 687/4885RXRB 586/4885RXRG 414/4885
US-20070135600-A1 Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex AP1M1, OR10J3, AP2M1 RXRA 1451/4885RXRB 1700/4885RXRG 1795/4885
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, FH, DPYD RXRA 1968/4885RXRB 2134/4885RXRG 1972/4885
US-20130267705-A1 Insecticidal Triazines and Pyrimidines TYMS, TYMP, DHX15 RXRA 2840/4885RXRB 2574/4885RXRG 2649/4885
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRM1 RXRA 491/4885RXRB 460/4885RXRG 445/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 RXRA 1645/4885RXRB 1455/4885RXRG 1718/4885
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands CDKL2, CDK2, CDKL1 RXRA 4227/4885RXRB 3814/4885RXRG 4023/4885

“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.