SCHEMBL175259

SCHEMBL175259

C=CC(CCCCC)N[C]=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH4 P08319 1/20 0.36
ADH7 P40394 1/20 0.36
MAPT P10636 2/20 0.33
FAAH O00519 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TRPA1 O75762 1/20 0.32
DDAH1 O94760 1/20 0.32
GAPDH P04406 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
FDPS P14324 4/20 0.31
TSHR P16473 2/20 0.31
OPRM1 P35372 1/20 0.31
ZDHHC7 Q9NXF8 1/20 0.31
GPR84 Q9NQS5 3/20 0.31
FFAR1 O14842 1/20 0.31
CA1 P00915 1/20 0.31

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
SCHEMBL15375249 0.75 TSHR (0.41) ADH1BADH1CADH1AADH4ADH7
SCHEMBL2363325 0.74 ADH1B (0.55) ADH1BADH1CADH1AADH4ADH7
SCHEMBL19120660 0.74 ADH1B (0.39) ADH1BADH1CADH1AADH4ADH7
SCHEMBL8775560 0.74 ADH1B (0.39) ADH1BADH1CADH1AADH4ADH7
SCHEMBL8878897 0.74 OPRM1 (0.39) ADH1BADH1CADH1AADH4ADH7
SCHEMBL9418815 0.73 ADH1B (0.58) ADH1BADH1CADH1AADH4ADH7
SCHEMBL270648 0.73 MAPT (0.39) ADH1BADH1CADH1AADH4ADH7
SCHEMBL25662451 0.72 ADH1B (0.38) ADH1BADH1CADH1AADH4ADH7
SCHEMBL5818367 0.72 PLA2G2C (0.46) MAPTFAAHALDH1A1ZDHHC20ZDHHC2
SCHEMBL270098 0.71 MAPT (0.38) ADH1BADH1CADH1AADH4ADH7

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
CN-108383791-A A kind of amides compound and its preparation method and application 上海泰禾国际贸易有限公司 2018-08-10 CN claimed
EP-2611300-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES Bayer Intellectual Property GmbH (DE) 2013-07-10 EP claimed
US-8415347-B2 Substituted tetracyclic tetahydrofuran, pyrrolidine and tetrahydrothiophene derivatives JANSSEN PHARMACEUTICA, NV (BE) 2013-04-09 US claimed
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones BAYER CROPSCIENCE AG (DE) 2012-06-21 US claimed
WO-2012028578-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER CROPSCIENCE AG (DE) 2012-03-08 WO claimed
EP-1198505-B1 CARBONATE POLYMER COMPOSITIONS STABILIZED AGAINST DISCOLORATION AND PHYSICAL PROPERTY DETERIORATION DURING STERILIZATION BY IONIZING RADIATION DOW GLOBAL TECHNOLOGIES INC (US) 2004-01-07 EP claimed
EP-0799230-A1 THIENOXAZINONE DERIVATIVES USEFUL AS ANTIVIRAL AGENTS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP claimed
WO-1996019482-A1 THIENOXAZINONE DERIVATIVES USEFUL AS ANTIVIRAL AGENTS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO claimed
JP-6041104-A None JP disclosed
US-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER IP GMBH (DE) 2015-06-25 US disclosed
US-9006265-B2 Substituted fused pyrimidinones and dihydropyrimidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 US disclosed
EP-2611300-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES Bayer Intellectual Property GmbH (DE) 2013-07-10 EP disclosed
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones BAYER CROPSCIENCE AG (DE) 2012-06-21 US disclosed
WO-2012028578-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER CROPSCIENCE AG (DE) 2012-03-08 WO disclosed
EP-0799230-A1 THIENOXAZINONE DERIVATIVES USEFUL AS ANTIVIRAL AGENTS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP disclosed
WO-1996019482-A1 THIENOXAZINONE DERIVATIVES USEFUL AS ANTIVIRAL AGENTS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO disclosed
JP-H0641104-A HYDROXYLAMINE DERIVATIVE SUBSTITUTED BY HETEROARYL GROUP CIBA GEIGY AG 1994-02-15 JP 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 (2 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-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES DHPS, FDPS, DPYD ADH1B 371/4885ADH1C 260/4885ADH1A 444/4885
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD ADH1B 371/4885ADH1C 260/4885ADH1A 444/4885

“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.