SCHEMBL5364906

SCHEMBL5364906

COc1ccc[c]c1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA12 O43570 1/20 0.42
CA4 P22748 1/20 0.42
CA14 Q9ULX7 1/20 0.42
HDAC4 P56524 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
ALDH1A1 P00352 3/20 0.35
TP53 P04637 2/20 0.35
TSHR P16473 1/20 0.35
ADRA2B P18089 1/20 0.35
PTGS1 P23219 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL9381068 0.83 APP (0.42) CA1CA2CA7CA9CA12
SCHEMBL1062475 0.82 CA1 (0.41) CA1CA2CA7CA9CA12
SCHEMBL27880749 0.79 ALOX12 (0.33) KMT2AALOX12HTTL3MBTL1
SCHEMBL12818135 0.79 CA1 (0.38) CA1CA2CA7CA9CA12
SCHEMBL2885322 0.73 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL27272029 0.72 CA1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL8775726 0.72 CA1 (0.39) CA1CA2CA7CA9CA12
SCHEMBL2958797 0.71 TSHR (0.35) ALDH1A1TSHRACHE
SCHEMBL3821405 0.71
SCHEMBL159454 0.71 GABRA1 (0.41) CA1CA2ALDH1A1TSHRPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731954-B2 Histone demethylase inhibitors CELGENE QUANTICEL RES INC (US) 2023-08-22 US disclosed
US-20210238161-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2021-08-05 US disclosed
US-11001568-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2021-05-11 US disclosed
US-20200157077-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2020-05-21 US disclosed
US-10597379-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2020-03-24 US disclosed
US-20180319769-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-11-08 US disclosed
US-10059687-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-08-28 US disclosed
US-20170183325-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2017-06-29 US disclosed
US-7279580-B2 Imidazo-pyridine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LIMITED (GB) 2007-10-09 US disclosed
EP-1511747-B1 IMIDAZO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2006-04-12 EP disclosed
US-20050165048-A1 Imidazo-pyridine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2005-07-28 US disclosed
CN-1202109-A Kainic acid neuronotoxicity inhibitors and pyridothioazine derivatives YAMANOUCHI PHARMA CO LTD (JP) 1998-12-16 CN 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 (9 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-11001568-B2 Histone demethylase inhibitors KDM1B, KDM1A, BMI1 CA1 1808/4885CA2 1249/4885CA7 1363/4885
US-10597379-B2 Histone demethylase inhibitors KDM1B, KDM1A, BMI1 CA1 1808/4885CA2 1249/4885CA7 1363/4885
US-11731954-B2 Histone demethylase inhibitors KDM1B, KDM1A, BMI1 CA1 1808/4885CA2 1249/4885CA7 1363/4885
US-20170183325-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, BMI1 CA1 1808/4885CA2 1249/4885CA7 1363/4885
US-20050165048-A1 Imidazo-pyridine derivatives as ligands for gaba receptors GABRA3, GABRA2, GABRA5 CA1 1923/4885CA2 1472/4885CA7 3727/4885
US-10059687-B2 Histone demethylase inhibitors KDM1B, KDM1A, BMI1 CA1 1808/4885CA2 1249/4885CA7 1363/4885
US-20180319769-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, BMI1 CA1 1808/4885CA2 1249/4885CA7 1363/4885
US-20200157077-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, BMI1 CA1 1808/4885CA2 1249/4885CA7 1363/4885
US-20210238161-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, BMI1 CA1 1808/4885CA2 1249/4885CA7 1363/4885

“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.