SCHEMBL6034044

SCHEMBL6034044

CC(C)N(C)C(C)c1ccc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.57
AOC3 Q16853 2/20 0.49
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
SLC6A2 P23975 5/20 0.45
SLC6A4 P31645 5/20 0.45
SLC6A3 Q01959 5/20 0.45
KCNH2 Q12809 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP3A4 P08684 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.45
TSHR P16473 1/20 0.45
HIF1A Q16665 1/20 0.45
ATM Q13315 1/20 0.44

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
SCHEMBL5962501 1.00 UGT2B7 (0.57) UGT2B7AOC3ADRA2AADRA2BADRA2C
SCHEMBL14475276 0.86 UGT2B7 (0.59) UGT2B7AOC3ADRA2AADRA2BADRA2C
SCHEMBL8439038 0.86 UGT2B7 (0.59) UGT2B7AOC3ADRA2AADRA2BADRA2C
SCHEMBL6543516 0.81 UGT2B7 (0.53) UGT2B7AOC3ADRA2AADRA2BADRA2C
SCHEMBL19737790 0.79 UGT2B7 (0.52) UGT2B7AOC3ADRA2AADRA2BADRA2C
SCHEMBL6885490 0.79 UGT2B7 (0.65) UGT2B7AOC3ADRA2AADRA2BADRA2C
Anthracene SCHEMBL22288151 0.79 UGT2B7 (0.65) UGT2B7AOC3ADRA2AADRA2BADRA2C
SCHEMBL2491495 0.79 UGT2B7 (0.65) UGT2B7AOC3ADRA2AADRA2BADRA2C
SCHEMBL599956 0.78 UGT2B7 (0.71) UGT2B7AOC3ADRA2AADRA2BADRA2C
SCHEMBL30928206 0.78 UGT2B7 (0.71) UGT2B7AOC3ADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8304451-B2 Histone deacetylase and tubulin deacetylase inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-11-06 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20090209590-A1 Histone Deacetylase and Tubulin Deacetylase Inhibitors HDAC6, HDAC1, HDAC5 UGT2B7 3009/4885AOC3 3599/4885ADRA2A 2955/4885
US-20150038581-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 UGT2B7 2487/4885AOC3 2541/4885ADRA2A 4216/4885
US-20080269245-A1 Dioxanes and uses thereof UTS2R, MAN2B2, AMDHD2 UGT2B7 438/4885AOC3 2322/4885ADRA2A 2623/4885

“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.