SCHEMBL8199288

SCHEMBL8199288

O=C(OC1CCCC1)[C@@H](NC1CCNCC1)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.45
TPSAB1 Q15661 2/20 0.39
TPSD1 Q9BZJ3 2/20 0.39
TPSG1 Q9NRR2 2/20 0.39
CYP19A1 P11511 2/20 0.38
POLB P06746 1/20 0.35
DPP4 P27487 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
TP53 P04637 1/20 0.33
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
THRB P10828 1/20 0.32
ATM Q13315 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32

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
SCHEMBL8202611 0.81 TPSAB1 (0.40) EPHX1TPSAB1TPSD1TPSG1CYP19A1
SCHEMBL15000748 0.81 CYP19A1 (0.41) EPHX1TPSAB1TPSD1TPSG1CYP19A1
SCHEMBL15000747 0.79 CYP19A1 (0.40) EPHX1TPSAB1TPSD1TPSG1CYP19A1
SCHEMBL28164690 0.79 L3MBTL1 (0.42) EPHX1CYP19A1POLBDPP4L3MBTL1
SCHEMBL4426277 0.79 L3MBTL1 (0.42) EPHX1CYP19A1POLBDPP4L3MBTL1
Hydrochloric Acid SCHEMBL19712555 0.77 EPHX1 (0.50) EPHX1POLBDPP4TP53CHRM5
Hydrochloric Acid SCHEMBL3458692 0.77 EPHX1 (0.50) EPHX1POLBDPP4TP53CHRM5
SCHEMBL14202878 0.77 EPHX1 (0.46) EPHX1CYP19A1L3MBTL1TP53THRB
SCHEMBL8205617 0.76 NPR3 (0.41) EPHX1TPSAB1TPSD1TPSG1CYP19A1
SCHEMBL1410104 0.74 EPHX1 (0.60) EPHX1L3MBTL1THRBATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069291-B1 HDAC INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2017-12-20 EP disclosed
US-9725407-B2 HDAC inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-08-08 US disclosed
US-9725407-B2 HDAC inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-08-08 US disclosed
US-20160137594-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2016-05-19 US disclosed
US-20160137594-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2016-05-19 US disclosed
US-9273003-B2 Methods of treating lymphoma and rheumatoid arthritis with cyclopentyl (2S)-cyclohexyl[({6-[3-(hydroxyamino)-3-oxopropyl]pyridin-3-yl}methyl)amino]acetate GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-03-01 US disclosed
US-9273003-B2 Methods of treating lymphoma and rheumatoid arthritis with cyclopentyl (2S)-cyclohexyl[({6-[3-(hydroxyamino)-3-oxopropyl]pyridin-3-yl}methyl)amino]acetate GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-03-01 US disclosed
US-20140323531-A1 HDAC INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2014-10-30 US disclosed
US-20140323531-A1 HDAC INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2014-10-30 US disclosed
US-8637547-B2 Compounds which inhibit members of the histone deacetylase family of enzymes and their use in the treatment of cell proliferative diseases CHROMA THERAPEUTICS LTD. (GB) 2014-01-28 US disclosed
US-8637547-B2 Compounds which inhibit members of the histone deacetylase family of enzymes and their use in the treatment of cell proliferative diseases CHROMA THERAPEUTICS LTD. (GB) 2014-01-28 US disclosed
US-20130197042-A1 HDAC INHIBITORS CHROMA THERAPEUTCS, LTD 2013-08-01 US disclosed
US-20130197042-A1 HDAC INHIBITORS CHROMA THERAPEUTCS, LTD 2013-08-01 US disclosed
EP-2295410-A1 HDAC inhibitor Chroma Therapeutics Limited (GB) 2011-03-16 EP disclosed
US-20100010010-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2010-01-14 US disclosed
US-20100010010-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2010-01-14 US disclosed
WO-2008040934-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2008-04-10 WO 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 (4 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-20140323531-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 EPHX1 1931/4885TPSAB1 404/4885TPSD1 811/4885
US-20100010010-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 EPHX1 1869/4885TPSAB1 377/4885TPSD1 789/4885
US-20160137594-A1 HDAC INHIBITORS HDAC1, HDAC11, HDAC2 EPHX1 4052/4885TPSAB1 1849/4885TPSD1 3023/4885
US-20130197042-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 EPHX1 1931/4885TPSAB1 404/4885TPSD1 811/4885

“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.