SCHEMBL8743586

SCHEMBL8743586

C#CC(C)Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
CA4 P22748 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
GAA P10253 2/20 0.37
PKM P14618 1/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
MAOB P27338 2/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
MAOA P21397 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
LTA4H P09960 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL10835046 0.92 LTA4H (0.47) MAOALTA4HTSHRALDH1A1HPGD
SCHEMBL27310024 0.80 ACHE (0.41) LMNATSHRPOLBTDP1SLC6A4
SCHEMBL609371 0.80 CA1 (0.48) KDM4ECA4MTNR1AMTNR1BLMNA
SCHEMBL8733198 0.79 POLB (0.41) KDM4ECA4MTNR1AMTNR1BLMNA
SCHEMBL9918887 0.78 PYCR1 (0.37) MEN1KMT2AHPGD
SCHEMBL12879343 0.78 ACHE (0.48) LMNAGAATDP1SLC6A4MEN1
SCHEMBL16774382 0.78 MTNR1A (0.46) MTNR1AMTNR1BLMNAALDH1A1
SCHEMBL43675 0.77 MTNR1A (0.42) KDM4ECA4MTNR1AMTNR1BLMNA
SCHEMBL9353539 0.77 MTNR1A (0.42) KDM4ECA4MTNR1AMTNR1BLMNA
SCHEMBL4306370 0.77 KDM4E (0.39) KDM4ECA4MTNR1AMTNR1BLMNA

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
US-20190092771-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2019-03-28 US disclosed
US-10174026-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2019-01-08 US disclosed
EP-2968282-B1 HISTONE DEMENTHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2018-05-09 EP disclosed
US-20180105521-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-04-19 US disclosed
US-9873697-B2 Histone demethylase inhibitors Celgene Quantical Research, Inc. (US) 2018-01-23 US disclosed
US-20170313702-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2017-11-02 US disclosed
US-9738637-B2 Histone demethylase inhibitors Celgene Quantical Research, Inc. (US) 2017-08-22 US disclosed
US-9447134-B2 Compounds and methods for treating mammalian gastrointestinal microbial infections BRANDEIS UNIVERSITY (US) 2016-09-20 US disclosed
US-9447134-B2 Compounds and methods for treating mammalian gastrointestinal microbial infections BRANDEIS UNIVERSITY (US) 2016-09-20 US disclosed
US-9447134-B2 Compounds and methods for treating mammalian gastrointestinal microbial infections BRANDEIS UNIVERSITY (US) 2016-09-20 US disclosed
US-20150210727-A1 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2015-07-30 US disclosed
US-20150210727-A1 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2015-07-30 US disclosed
US-20150210727-A1 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2015-07-30 US disclosed
WO-2014164708-A1 HISTONE DEMENTHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2014-10-09 WO disclosed
WO-2014126580-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-08-21 WO disclosed
WO-2014028931-A2 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS BRANDEIS UNIVERSITY (US) 2014-02-20 WO disclosed
WO-2014028931-A2 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS BRANDEIS UNIVERSITY (US) 2014-02-20 WO disclosed
EP-0589965-B1 ORGANOBORON REAGENTS FOR THE PREPARATION OF UNSUBSTITUTED PROPARGYLIC ALCOHOLS MERRELL PHARMA INC (US) 1997-01-08 EP disclosed
EP-0027835-A1 Process for producing cis-(+,-)-3,4-dihydro-N,N,2-trimethyl-2H-1-benzopyran-3-amine, intermediates produced thereby and their preparation WARNER-LAMBERT COMPANY (US) 1981-05-06 EP disclosed
US-4203895-A Process for the preparation of cis-(±)-3,4-dihydro-N,N,2-trimethyl-2H-1-benzopyran-3-amine and intermediates produced thereby WARNER-LAMBERT COMPANY (US) 1980-05-20 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 (5 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-20170313702-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5A KDM4E 16/4885CA4 1329/4885MTNR1A 1879/4885
US-20190092771-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5A KDM4E 16/4885CA4 1329/4885MTNR1A 1879/4885
US-20150210727-A1 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS IMPDH1, IMPDH2, IMPA1 KDM4E 2734/4885CA4 1919/4885MTNR1A 1767/4885
US-20180105521-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5A KDM4E 16/4885CA4 1329/4885MTNR1A 1879/4885
US-10174026-B2 Histone demethylase inhibitors KDM1B, KDM1A, KDM5A KDM4E 16/4885CA4 1329/4885MTNR1A 1879/4885

“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.