SCHEMBL3045138

SCHEMBL3045138

CCCCCCC(C)CO[C]=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.44
MAPT P10636 1/20 0.38
ADH1B P00325 1/20 0.37
ADH1C P00326 1/20 0.37
ADH1A P07327 1/20 0.37
ADH4 P08319 1/20 0.37
ADH7 P40394 1/20 0.37
OPRM1 P35372 1/20 0.37
SMPD1 P17405 3/20 0.36
GPR84 Q9NQS5 3/20 0.35
FDPS P14324 3/20 0.35
SPHK1 Q9NYA1 1/20 0.35
FFAR1 O14842 1/20 0.35
CA1 P00915 1/20 0.35
ZDHHC7 Q9NXF8 1/20 0.35
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL3042548 0.98 ACE2 (0.41) ACE2MAPTADH1BADH1CADH1A
SCHEMBL385558 0.92 CYP3A4 (0.34) ACE2OPRM1FDPSCA1LMNA
SCHEMBL103020 0.83
SCHEMBL3034934 0.82 ACE2 (0.47) ACE2MAPTADH1BADH1CADH1A
SCHEMBL7209537 0.82 LMNA (0.45) MAPTADH1BADH1CADH1AADH4
SCHEMBL7204580 0.82 LMNA (0.45) MAPTADH1BADH1CADH1AADH4
SCHEMBL7205358 0.82 LMNA (0.45) MAPTADH1BADH1CADH1AADH4
SCHEMBL3038480 0.81 LMNA (0.50) LMNA
SCHEMBL3024811 0.80 ACE2 (0.44) ACE2MAPTADH1BADH1CADH1A
SCHEMBL8634225 0.79 LMNA (0.41) MAPTOPRM1SMPD1GPR84FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216736-A2 2'-CYANOPYRIMIDINE NUCLEOSIDE COMPOUND TAIHO PHARMACEUTICAL CO., LTD. (JP) 2010-08-26 US disclosed
US-20100056466-A1 2'-Cyanopyrimidine Nucleoside Compound MATSUDA, AKIRA (JP) 2010-03-04 US disclosed
US-6670307-B2 Such as 2-(2,6-difluorophenyl)-4-(4-(2-ethoxypyridin-5-yl) phenyl)oxazoline; for administration to livestock HOECHST SCHERING AGREVO GMBH (DE) 2003-12-30 US disclosed
EP-1087967-B1 1,3-OXAZOLINE AND 1,3-THIAZOLINE DERIVATIVES, METHOD FOR PRODUCING THE SAME AND THEIR USE AS PESTICIDES BAYER CROPSCIENCE GMBH (DE) 2003-10-22 EP disclosed
US-20030119806-A1 Azetidine derivatives, processes for their preparation and their use as pesticides BAYER CROPSCIENCE S.A. (FR) 2003-06-26 US disclosed
WO-2003022808-A1 AZETIDIN DERIVATIVES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS PESTICIDES BAYER CROPSCIENCE S. A. (FR) 2003-03-20 WO disclosed
US-20020068828-A1 1,3-oxazoline and 1,3-thiazoline derivatives, their preparation, and their use as pesticides BAYER CROPSCIENCE AG (DE) 2002-06-06 US disclosed
US-6300333-B1 COMPOUNDS AS FUNGICIDES, MITICIDES OR INSECTICIDES HOECHST SCHERING AGREVO GMBH (DE) 2001-10-09 US disclosed
US-6265350-B1 CONTROLLING HARMFUL FUNGI, INSECTS, ACARINA, MOLLUSKS AND NEMATODES HOECHST SCHERING AGREVO GMBH (DE) 2001-07-24 US disclosed
EP-1087967-A1 1,3-OXAZOLINE AND 1,3-THIAZOLINE DERIVATIVES, METHOD FOR PRODUCING THE SAME AND THEIR USE AS PESTICIDES Aventis CropScience GmbH (DE) 2001-04-04 EP disclosed
EP-1068197-A1 SUBSTITUTED PIPERIDINES, METHOD FOR THEIR PREPARATION AND THEIR USE AS PESTICIDES AND FUNGICIDES Aventis CropScience GmbH (DE) 2001-01-17 EP disclosed
WO-1999065901-A1 1,3-OXAZOLINE AND 1,3-THIAZOLINE DERIVATIVES, METHOD FOR PRODUCING THE SAME AND THEIR USE AS PESTICIDES AVENTIS CROPSCIENCE GMBH (DE) 1999-12-23 WO disclosed
WO-1999051589-A1 SUBSTITUTED PIPERIDINES, METHOD FOR THEIR PREPARATION AND THEIR USE AS PESTICIDES AND FUNGICIDES AVENTIS CROPSCIENCE GMBH (DE) 1999-10-14 WO disclosed
US-5723492-A LTA4 hydrolase inhibitor pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1998-03-03 US disclosed
US-5719306-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1998-02-17 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 (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-20030119806-A1 Azetidine derivatives, processes for their preparation and their use as pesticides DDT, CHRM1, CNTN1 ACE2 2386/4885MAPT 4805/4885ADH1B 2270/4885
US-20100216736-A2 2'-CYANOPYRIMIDINE NUCLEOSIDE COMPOUND NUDT1, DPYD, SLC29A1 ACE2 1401/4885MAPT 4699/4885ADH1B 1955/4885
US-20020068828-A1 1,3-oxazoline and 1,3-thiazoline derivatives, their preparation, and their use as pesticides MT-CO1, OXA1L, MT-CO3 ACE2 1397/4885MAPT 3869/4885ADH1B 2795/4885
US-20100056466-A1 2'-Cyanopyrimidine Nucleoside Compound NUDT1, DPYD, SLC29A1 ACE2 1401/4885MAPT 4699/4885ADH1B 1955/4885

“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.