SCHEMBL397490

SCHEMBL397490

C[C@H](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
SCHEMBL396124 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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118791538-A Chemical synthesis method and application of vibrio cholerae O100 serotype O antigen oligosaccharide 江南大学 2024-10-18 CN disclosed
CN-104372039-A Two-enzyme method for preparing rosuvastatin intermediates with branched chains NANJING LANG EN BIOLOG SCIENCE & TECHNOLOGY CO LTD 2015-02-25 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
US-8278454-B2 Process for preparing tetrahydroquinoline derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-10-02 US 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-8101658-B2 Nitric oxide donating prostamides NICOX S.A. (FR) 2012-01-24 US 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
US-20110092590-A1 NITRIC OXIDE DONATING PROSTAMIDES NICOX S.A. (FR) 2011-04-21 US disclosed
US-20110092590-A1 NITRIC OXIDE DONATING PROSTAMIDES NICOX S.A. (FR) 2011-04-21 US disclosed
EP-2274279-A1 NITRIC OXIDE DONATING PROSTAMIDES Nicox S.A. (FR) 2011-01-19 EP disclosed
US-20100311976-A1 PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES MERCK PATENT GESELLSCHAFT (DE) 2010-12-09 US disclosed
US-20100311800-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS NICOX S.A. (FR) 2010-12-09 US 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-2009098113-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2009-08-13 WO disclosed
US-6967196-B1 Sulfonamide compounds and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-22 US 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 (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-20100311800-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS AGTR2, AGTR1, AGT CYP2D6 284/4885HDAC8 2159/4885HDAC3 1227/4885
US-20100311976-A1 PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES HNMT, PNMT, INMT CYP2D6 385/4885HDAC8 3115/4885HDAC3 2317/4885
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.