SCHEMBL396124

SCHEMBL396124

CC(O)CCCC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.40
HDAC8 Q9BY41 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAPT P10636 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CTSK P43235 1/20 0.36
EPHX2 P34913 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL396125 1.00 CYP2D6 (0.40) CYP2D6HDAC8HDAC3HDAC1HDAC2
SCHEMBL397490 1.00 CYP2D6 (0.40) CYP2D6HDAC8HDAC3HDAC1HDAC2
SCHEMBL2180265 0.94 MAPT (0.41) CYP2D6HDAC8HDAC3HDAC1HDAC2
SCHEMBL1184772 0.94 MAPT (0.41) CYP2D6HDAC8HDAC3HDAC1HDAC2
SCHEMBL27475233 0.88 CYP2D6 (0.42) CYP2D6HDAC8HDAC3HDAC1HDAC2
SCHEMBL28632400 0.88 CYP2D6 (0.42) CYP2D6HDAC8HDAC3HDAC1HDAC2
SCHEMBL28634513 0.88 CYP2D6 (0.42) CYP2D6HDAC8HDAC3HDAC1HDAC2
SCHEMBL10137828 0.86 CA1 (0.38) CYP2D6HDAC8HDAC3HDAC1HDAC2
SCHEMBL3406214 0.83 CYP2D6 (0.31) CYP2D6HDAC8HDAC3HDAC1HDAC2
SCHEMBL11193635 0.82 HDAC8 (0.38) CYP2D6HDAC8HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021239077-A1 MLL1 INHIBITORS AND ANTI-CANCER AGENTS NOVARTIS AG (CH) 2021-12-02 WO disclosed
CN-108602806-A Improved Ai Palin peptides receptor (APJ) agonist and application thereof 研究三角协会 2018-09-28 CN disclosed
CN-104087547-B A kind of engineering bacteria and preparation (3R, 5R) 6-cyano group-3, the method for 5-dihydroxy hecanoic acid t-butyl ester 浙江大学 2016-06-15 CN disclosed
CN-104087547-A Engineering bacterium and method for preparing tert-butyl (3R, 5R) 6-cyan-3, 5-dyhydroxyl hexanoate UNIV ZHEJIANG 2014-10-08 CN disclosed
CN-102099330-B Nitric oxide donating prostamides NICOX SA 2014-04-30 CN disclosed
EP-2274279-B1 NITRIC OXIDE DONATING PROSTAMIDES NICOX SA (FR) 2013-07-31 EP disclosed
EP-2238143-B1 NITRIC OXIDE DONOR COMPOUNDS NICOX SA (FR) 2012-08-15 EP disclosed
US-8101658-B2 Nitric oxide donating prostamides NICOX S.A. (FR) 2012-01-24 US disclosed
US-8003811-B2 Nitric oxide donor compounds NICOX S.A. (FR) 2011-08-23 US disclosed
CN-102099330-A Nitric oxide donating prostamides NICOX SA 2011-06-15 CN disclosed
US-20110092590-A1 NITRIC OXIDE DONATING PROSTAMIDES NICOX S.A. (FR) 2011-04-21 US disclosed
US-20100311800-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS NICOX S.A. (FR) 2010-12-09 US disclosed
EP-2250158-A2 ANGIOTENSIN II RECEPTOR ANTAGONISTS Nicox S.A. (FR) 2010-11-17 EP disclosed
EP-2238143-A1 NITRIC OXIDE DONOR COMPOUNDS Nicox S.A. (FR) 2010-10-13 EP disclosed
US-20100249189-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2010-09-30 US disclosed
WO-2009106470-A2 ANGIOTENSIN II RECEPTOR ANTAGONISTS NICOX S.A. (FR) 2009-09-03 WO disclosed
WO-2009098113-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2009-08-13 WO disclosed
CN-1348442-A Novel sulfonamide compounds and uses thereof MERCK & CO INC (US) 2002-05-08 CN 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-20100311800-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS AGTR2, AGTR1, AGT CYP2D6 284/4885HDAC8 2159/4885HDAC3 1227/4885
US-20100249189-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS1, NOS2 CYP2D6 303/4885HDAC8 3388/4885HDAC3 2382/4885
US-20110092590-A1 NITRIC OXIDE DONATING PROSTAMIDES PTGIS, PTGIR, NOS2 CYP2D6 950/4885HDAC8 1600/4885HDAC3 2032/4885

“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.