SCHEMBL311112

SCHEMBL311112

C1CCC2CC3CCCC3CCC2C1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
ALOX5 P09917 1/20 0.34
CYP2D6 P10635 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
HSD11B1 P28845 1/20 0.30

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
SCHEMBL6263692 1.00 ALDH1A1 (0.61) ALDH1A1ALOX5CYP2D6MEN1KMT2A
SCHEMBL20720467 0.96 ALDH1A1 (0.57) ALDH1A1ALOX5CYP2D6MEN1KMT2A
SCHEMBL2991559 0.96 ALDH1A1 (0.67) ALDH1A1ALOX5CYP2D6MEN1KMT2A
SCHEMBL6688258 0.96 ALDH1A1 (0.67) ALDH1A1ALOX5CYP2D6MEN1KMT2A
SCHEMBL15612484 0.96 ALDH1A1 (0.54) ALDH1A1ALOX5
SCHEMBL3262787 0.92 ALDH1A1 (0.61) ALDH1A1ALOX5CYP2D6MEN1KMT2A
SCHEMBL6380069 0.92 ALDH1A1 (0.61) ALDH1A1ALOX5CYP2D6MEN1KMT2A
SCHEMBL3262784 0.92 ALDH1A1 (0.61) ALDH1A1ALOX5CYP2D6MEN1KMT2A
SCHEMBL9579128 0.92 ALDH1A1 (0.61) ALDH1A1ALOX5CYP2D6MEN1KMT2A
SCHEMBL9140661 0.92 ALDH1A1 (0.61) ALDH1A1ALOX5CYP2D6MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021154976-A1 METHODS OF TREATING BRAIN CANCER WITH PANOBINOSTAT SECURA BIO, INC. (US) 2021-08-05 WO disclosed
EP-2139850-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2018-09-12 EP disclosed
US-9636298-B2 Prodrugs of compounds that enhance antifungal activity and compositions of said prodrugs METHYLGENE INC (CA) 2017-05-02 US disclosed
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase FMR LLC 2017-01-05 US disclosed
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors FMR LLC 2016-08-04 US disclosed
CN-103561747-B Method for targeted treatment of frontotemporal lobar degeneration FORUM PHARMACEUTICALS, INC. (US) 2016-04-06 CN disclosed
EP-2966078-A2 Inhibitors of histone deacetylase MethylGene Inc. (CA) 2016-01-13 EP disclosed
US-9193749-B2 Dibenzo[b,f][1,4]oxazepin-11-yl-N-hydroxybenzamides as HDAC inhibitors FORUM PHARMACEUTICALS, INC. (US) 2015-11-24 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-20150080325-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE ENVIVO PHARMACEUTICALS, INC. (US) 2015-03-19 US disclosed
US-20060270730-A1 Histone deacetylase inhibitors as immunosuppressants KATOPODIS ANDREAS 2006-11-30 US disclosed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO disclosed
US-7067551-B2 Deacetylase inhibitors NOVARTIS AG (CH) 2006-06-27 US disclosed
US-20050085507-A1 p-phenylethenyl hydroxamates; anticarcinogenic, antitumor, antiproliferative agents; regulating p21 promoter; improved stability SECURA BIO, INC. 2005-04-21 US disclosed
US-20050032899-A1 Cyclooxygenase-2 inhibitor/histone deacetylase inhibitor combination NOVARTIS AG (CH) 2005-02-10 US disclosed
US-6833384-B2 E. g., N-Hydroxy-3-(4-(((2-(1H-indol-3-yl)-ethyl)amino)-amino)methyl)-phenyl)-2E-2 -propenamide; histone deacetylase inhibitors; antiproliferative agents; antitumor agents; anticarcinogenic agents NOVARTIS AG (CH) 2004-12-21 US disclosed
US-20040024067-A1 Deacetylase inhibitors ATHYRIUM OPPORTUNITIES III ACQUISITION LP 2004-02-05 US disclosed
US-6552065-B2 Antiproliferative agents NOVARTIS AG (CH) 2003-04-22 US disclosed
US-20030018062-A1 Deacetylase inhibitors SECURA BIO, INC. 2003-01-23 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 (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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 ALDH1A1 781/4885ALOX5 4550/4885CYP2D6 3759/4885
US-20050085507-A1 p-phenylethenyl hydroxamates; anticarcinogenic, antitumor, antiproliferative agents; regulating p21 promoter; improved stability TP53, CDKN1A, HDAC1 ALDH1A1 835/4885ALOX5 4195/4885CYP2D6 3932/4885
US-20060270730-A1 Histone deacetylase inhibitors as immunosuppressants HDAC1, HDAC2, HDAC5 ALDH1A1 1127/4885ALOX5 1889/4885CYP2D6 3914/4885
US-20150080325-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC2 ALDH1A1 1127/4885ALOX5 3140/4885CYP2D6 3723/4885
US-20040024067-A1 Deacetylase inhibitors HDAC1, HDAC3, HDAC6 ALDH1A1 812/4885ALOX5 4047/4885CYP2D6 4401/4885
US-20170000749-A1 Methods for Treating Cognitive Disorders Using Inhibitors of Histone Deacetylase HDAC5, KAT2A, HDAC1 ALDH1A1 1086/4885ALOX5 2997/4885CYP2D6 4032/4885
US-20050032899-A1 Cyclooxygenase-2 inhibitor/histone deacetylase inhibitor combination HDAC2, HDAC9, HDAC1 ALDH1A1 643/4885ALOX5 310/4885CYP2D6 2692/4885
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 ALDH1A1 235/4885ALOX5 2652/4885CYP2D6 1008/4885
US-20030018062-A1 Deacetylase inhibitors HDAC1, HDAC3, HDAC6 ALDH1A1 812/4885ALOX5 4047/4885CYP2D6 4401/4885

“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.