SCHEMBL4510013

SCHEMBL4510013

C=CC(OC=O)OCCCCC

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.36
ALDH1A1 P00352 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
TSHR P16473 3/20 0.32
HPGD P15428 1/20 0.32
EPHX1 P07099 1/20 0.32
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
ADH7 P40394 1/20 0.32
LPAR1 Q92633 2/20 0.32
LPAR3 Q9UBY5 2/20 0.32
PLA2G2C Q5R387 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL11010126 0.82 DNM1 (0.47) DNM1ALDH1A1CNR1CNR2TSHR
SCHEMBL2398433 0.80 DNM1 (0.41) DNM1ALDH1A1CNR1CNR2TSHR
SCHEMBL1818543 0.79 DNM1 (0.44) DNM1ALDH1A1CNR1CNR2TSHR
SCHEMBL6752694 0.78 TSHR (0.40) DNM1ALDH1A1CNR1CNR2TSHR
SCHEMBL15384183 0.77 DNM1 (0.42) DNM1ALDH1A1CNR1CNR2TSHR
SCHEMBL6273275 0.77 DNM1 (0.42) DNM1ALDH1A1CNR1CNR2TSHR
SCHEMBL4510009 0.76 DNM1 (0.35) DNM1ALDH1A1CNR1CNR2TSHR
SCHEMBL9235342 0.76 DNM1 (0.35) DNM1ALDH1A1CNR1CNR2TSHR
SCHEMBL8129244 0.76 DNM1 (0.43) DNM1ALDH1A1CNR1CNR2TSHR
SCHEMBL9480754 0.75 TSHR (0.40) DNM1ALDH1A1CNR1CNR2TSHR

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-20090281054-A1 COMPOSITIONS AND METHODS COMPRISING CAPURAMYCIN ANALOGUES SEQUELLA, INC. 2009-11-12 US disclosed
EP-1361225-B1 COMPOUNDS SUBSTITUTED WITH BICYCLIC AMINO GROUPS SANKYO CO (JP) 2007-11-07 EP disclosed
US-7091352-B2 Compounds substituted with bicyclic amino groups SANKYO COMPANY, LIMITED (JP) 2006-08-15 US disclosed
EP-1186302-B1 OCULAR TENSION LOWERING COMPOSITION FOR TOPICAL ADMINSTRATION SANKYO CO (JP) 2005-05-18 EP disclosed
US-6844173-B2 Strain of Streptomyces griseus SANKYO COMPANY, LIMITED (JP) 2005-01-18 US disclosed
US-6777436-B2 SYNERGISTIC MIXTURE OF ANGIOTENSIN INHIBITORS, BORIC ACID, ETHYLENEDIAMINETETRAACETIC ACID AND ACTIVE DRUG SANKYO COMPANY, LIMITED (JP) 2004-08-17 US disclosed
US-20040147525-A1 Compounds substituted with bicyclic amino groups SANKYO COMPANY, LIMITED (JP) 2004-07-29 US disclosed
EP-1361225-A1 COMPOUNDS SUBSTITUTED WITH BICYCLIC AMINO GROUPS Sankyo Company, Limited (JP) 2003-11-12 EP disclosed
US-20020147211-A1 Intraocular tension lowering compositions for topical administration SANKYO COMPANY, LIMITED (JP) 2002-10-10 US disclosed
US-6448247-B1 TACHYKININ RECEPTOR ANTAGONIST; ESPECIALLY TO THE RECEPTORS FOR SUBSTANCE P (WHICH RECEPTORS ARE GENERALLY REFERRED TO AS ?NEUROKININ 1 RECEPTORS?) SANKYO COMPANY, LIMITED (JP) 2002-09-10 US disclosed
EP-1186302-A1 OCULAR TENSION LOWERING COMPOSITION FOR TOPICAL ADMINSTRATION Sankyo Company, Limited (JP) 2002-03-13 EP disclosed
EP-0776893-B1 Azaheterocyclic compounds having tachykinin receptor antagonist activity; Nk1 and NK2 SANKYO CO (JP) 2002-02-27 EP disclosed
WO-2001002413-A1 BAFIlOMYCIN DERIVATIVES WITH ANTICANCER ACTIVITY INSTITUTO BIOMAR S.A. (ES) 2001-01-11 WO disclosed
US-6159967-A Heterocyclic compounds having tachykinin receptor antagonist activity their preparation and their use SANKYO COMPANY, LIMITED (JP) 2000-12-12 US disclosed
EP-0776893-A1 Azaheterocyclic compounds having tachykinin receptor antagonist activity; Nk1 and NK2 SANKYO COMPANY LIMITED (JP) 1997-06-04 EP 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-20090281054-A1 COMPOSITIONS AND METHODS COMPRISING CAPURAMYCIN ANALOGUES TTPA, PHOSPHO1, CAPG DNM1 1762/4885ALDH1A1 2628/4885CNR1 4114/4885
US-20020147211-A1 Intraocular tension lowering compositions for topical administration AGT, ECE1, AGTR1 DNM1 815/4885ALDH1A1 3001/4885CNR1 2385/4885
US-20040147525-A1 Compounds substituted with bicyclic amino groups IL2, IL1B, IL4I1 DNM1 4716/4885ALDH1A1 507/4885CNR1 1188/4885

“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.