SCHEMBL4432306

SCHEMBL4432306

O=C(O)C1(c2ccccc2)CCc2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC9 Q9UKV0 1/20 0.71
AKR1C1 Q04828 1/20 0.47
HCAR2 Q8TDS4 1/20 0.44
KIF11 P52732 1/20 0.41
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC4 P56524 1/20 0.39

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
SCHEMBL11190038 0.89 HDAC9 (0.58) HDAC9AKR1C1HCAR2KIF11KDM1A
SCHEMBL27359306 0.85 HDAC9 (0.55) HDAC9KIF11
SCHEMBL27728415 0.85 HDAC9 (0.55) HDAC9AKR1C1HCAR2KDM1ATSHR
SCHEMBL17316117 0.83 HDAC9 (1.00) HDAC9HCAR2HDAC4
SCHEMBL17327651 0.83 HDAC9 (1.00) HDAC9HCAR2HDAC4
SCHEMBL17327652 0.83 HDAC9 (1.00) HDAC9HCAR2HDAC4
SCHEMBL17316049 0.82 HDAC9 (0.67) HDAC9HCAR2TDP1
SCHEMBL11565801 0.81 HDAC9 (0.54) HDAC9HCAR2KDM1AMAOBTSHR
SCHEMBL14214917 0.78 HDAC9 (0.57) HDAC9AKR1C1HCAR2KIF11KDM1A
SCHEMBL433287 0.76 HDAC9 (0.50) HDAC9AKR1C1HCAR2KDM1AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3148539-B1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2021-02-17 EP disclosed
EP-3148539-B1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2021-02-17 EP disclosed
US-10457675-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2019-10-29 US disclosed
US-10457675-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2019-10-29 US disclosed
US-10065948-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2018-09-04 US disclosed
US-20170101402-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2017-04-13 US disclosed
US-20170101402-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2017-04-13 US disclosed
US-20170101402-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2017-04-13 US disclosed
EP-3148539-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2017-04-05 EP disclosed
CN-106535891-A Histone deacetylase inhibitors, compositions and methods of use thereof CHDI基金会股份有限公司 2017-03-22 CN disclosed
US-9599758-B2 Optical reflective film and optical reflector using the same Konica Minolta, Inc. (JP) 2017-03-21 US disclosed
WO-2015187542-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC. (US) 2015-12-10 WO disclosed
WO-2015187542-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC. (US) 2015-12-10 WO disclosed
US-20150285974-A1 OPTICAL REFLECTIVE FILM AND OPTICAL REFLECTOR USING THE SAME Konica Minolta, Inc. (JP) 2015-10-08 US disclosed
US-8324401-B2 Indane modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 US disclosed
US-20090325961-A1 INDANE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2009-12-31 US disclosed
US-7592461-B2 Indane modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
US-20070185056-A1 Indane modulators of glucocorticoid receptor, AP-1, and/or NF/kB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 US disclosed
US-4426422-A Distortion and chemically resistant heat transfer materials DENNISON MANUFACTURING COMPANY (US) 1984-01-17 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-10065948-B2 Histone deacetylase inhibitors and compositions and methods of use thereof HDAC1, HDAC6, HDAC5 HDAC9 6/4885AKR1C1 2829/4885HCAR2 800/4885
US-20090325961-A1 INDANE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFKB1, NR3C1, NR5A1 HDAC9 1344/4885AKR1C1 454/4885HCAR2 2845/4885
US-10457675-B2 Histone deacetylase inhibitors and compositions and methods of use thereof HDAC1, HDAC7, HDAC2 HDAC9 8/4885AKR1C1 2246/4885HCAR2 844/4885
US-20170101402-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC6, HDAC5 HDAC9 6/4885AKR1C1 2829/4885HCAR2 800/4885
US-20070185056-A1 Indane modulators of glucocorticoid receptor, AP-1, and/or NF/kB activity and use thereof NFKB1, NR3C1, NR5A1 HDAC9 1302/4885AKR1C1 417/4885HCAR2 2790/4885

“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.