SCHEMBL5962486

SCHEMBL5962486

CN(C[C@@H](O)c1cccc(O)c1)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.53
ADRB1 P08588 2/20 0.53
ADRA1A P35348 2/20 0.53
ADRB2 P07550 1/20 0.53
HTR1A P08908 1/20 0.53
ADRA2A P08913 1/20 0.53
ADRB3 P13945 1/20 0.53
TSHR P16473 1/20 0.53
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53
NFKB1 P19838 1/20 0.53
DRD1 P21728 1/20 0.53
HTR7 P34969 1/20 0.53
ADRA1B P35368 1/20 0.53
DRD3 P35462 1/20 0.53
RAB9A P51151 1/20 0.53
SLC6A3 Q01959 1/20 0.53
LMNA P02545 3/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51

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
SCHEMBL24951572 0.83 SLC22A1 (0.59) HIF1AADRB1ADRA1AADRB2HTR1A
SCHEMBL8439197 0.83 SLC22A1 (0.59) HIF1AADRB1ADRA1AADRB2HTR1A
SCHEMBL6491746 0.83 SLC22A1 (0.59) HIF1AADRB1ADRA1AADRB2HTR1A
SCHEMBL6491739 0.80 HIF1A (0.56) HIF1AADRB1ADRA1AADRB2HTR1A
SCHEMBL5065739 0.79 KYNU (0.50) HIF1AADRB1ADRA1AADRB2HTR1A
SCHEMBL9722026 0.79 HIF1A (0.55) HIF1AADRB1ADRA1AADRB2HTR1A
SCHEMBL10206558 0.79 HIF1A (0.55) HIF1AADRB1ADRA1AADRB2HTR1A
SCHEMBL25101167 0.79 HIF1A (0.54) HIF1AADRB1ADRA1AADRB2HTR1A
SCHEMBL8265938 0.79 HIF1A (0.54) HIF1AADRB1ADRA1AADRB2HTR1A
SCHEMBL7099619 0.77 KDM4E (0.56) HIF1AADRB1ADRA1AADRB2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10172821-B2 Histone deacetylase inhibitors President & Fellows of Harvard College Dana-Farber Cancer Institute, Inc. (US) 2019-01-08 US disclosed
US-20170360740-A1 HISTONE DEACETYLASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2017-12-21 US disclosed
US-20170360740-A1 HISTONE DEACETYLASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2017-12-21 US disclosed
US-9724321-B2 Histone deacetylase inhibitors PRESIDENT & FELLOWS OF HARVARD COLLEGE (US) 2017-08-08 US disclosed
US-20170037059-A1 GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-09 US disclosed
US-20170037059-A1 GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-09 US disclosed
US-20160143874-A1 HISTONE DEACETYLASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2016-05-26 US disclosed
US-9199923-B2 Histone deacetylase inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-12-01 US disclosed
US-20150038581-A1 HISTONE DEACETYLASE INHIBITORS Harvard University & Medical School 2015-02-05 US disclosed
US-20140213620-A1 HISTONE DEACETYLASE INHIBITORS BRADNER JAMES ELLIOT (US) 2014-07-31 US disclosed
US-20130018103-A1 BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2013-01-17 US disclosed
US-8304451-B2 Histone deacetylase and tubulin deacetylase inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-11-06 US disclosed
US-8222423-B2 Bifunctional histone deacetylase inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-07-17 US disclosed
US-8178579-B2 Histone deacetylase inhibitors; anticancer agents; antiprotozoa agents PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-15 US disclosed
US-8178579-B2 Histone deacetylase inhibitors; anticancer agents; antiprotozoa agents PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-15 US disclosed
US-20100056588-A1 HISTONE DEACETYLASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2010-03-04 US disclosed
US-20090312363-A1 BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-12-17 US disclosed
US-20090209590-A1 Histone Deacetylase and Tubulin Deacetylase Inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-08-20 US disclosed
US-20080269245-A1 Dioxanes and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2008-10-30 US disclosed
US-20080269245-A1 Dioxanes and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2008-10-30 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 (11 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-20130018103-A1 BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC2 HIF1A 1194/4885ADRB1 4841/4885ADRA1A 4835/4885
US-20140213620-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 HIF1A 1598/4885ADRB1 4038/4885ADRA1A 3897/4885
US-20160143874-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 HIF1A 1550/4885ADRB1 3877/4885ADRA1A 3816/4885
US-20170037059-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B HIF1A 3861/4885ADRB1 3038/4885ADRA1A 3879/4885
US-20090312363-A1 BIFUNCTIONAL HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC2 HIF1A 1194/4885ADRB1 4841/4885ADRA1A 4835/4885
US-20090209590-A1 Histone Deacetylase and Tubulin Deacetylase Inhibitors HDAC6, HDAC1, HDAC5 HIF1A 912/4885ADRB1 2185/4885ADRA1A 2395/4885
US-20170360740-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 HIF1A 1598/4885ADRB1 4038/4885ADRA1A 3897/4885
US-20150038581-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 HIF1A 1598/4885ADRB1 4038/4885ADRA1A 3897/4885
US-20100056588-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 HIF1A 1598/4885ADRB1 4038/4885ADRA1A 3897/4885
US-20080269245-A1 Dioxanes and uses thereof UTS2R, MAN2B2, AMDHD2 HIF1A 166/4885ADRB1 3865/4885ADRA1A 3304/4885
US-10172821-B2 Histone deacetylase inhibitors HDAC1, HDAC11, HDAC7 HIF1A 1598/4885ADRB1 4038/4885ADRA1A 3897/4885

“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.