SCHEMBL5505348

SCHEMBL5505348

CCCC(CC)OC(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
SOAT1 P35610 1/20 0.44
PRKCA P17252 2/20 0.44
PRKCD Q05655 2/20 0.44
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CTSK P43235 2/20 0.34
TDP1 Q9NUW8 2/20 0.33
POLB P06746 1/20 0.33
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 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
SCHEMBL6896056 0.91 ALDH1A1 (0.52) ALDH1A1SOAT1PRKCAPRKCDLMNA
SCHEMBL11114583 0.88 PRKCA (0.46) ALDH1A1SOAT1PRKCAPRKCDLMNA
SCHEMBL1440094 0.87 ALDH1A1 (0.57) ALDH1A1SOAT1LMNAHSD17B10ALOX15
SCHEMBL348985 0.87 PRKCA (0.49) ALDH1A1PRKCAPRKCDCA1CA2
SCHEMBL8130517 0.86 ALDH1A1 (0.43) ALDH1A1SOAT1PRKCAPRKCDLMNA
SCHEMBL21566978 0.85 PRKCA (0.47) ALDH1A1PRKCAPRKCDCA1CA2
SCHEMBL14890889 0.84 ALDH1A1 (0.50) ALDH1A1SOAT1PRKCAPRKCDLMNA
SCHEMBL14245197 0.83 PRKCA (0.46) ALDH1A1SOAT1PRKCAPRKCDCA1
SCHEMBL6507592 0.83 PRKCA (0.46) PRKCAPRKCDCA1CA2CTSK
SCHEMBL12415329 0.82 PRKCA (0.41) ALDH1A1PRKCAPRKCDLMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS ALKERMES, INC. 2011-01-20 US disclosed
US-7157442-B2 Antibacterial compound SANKYO COMPANY, LIMITED (JP) 2007-01-02 US disclosed
EP-1209166-B1 NOVEL A-500359 DERIVATIVES SANKYO CO (JP) 2004-03-31 EP disclosed
US-20030171330-A1 Antibacterial compound SANKYO COMPANY, LIMITED (JP) 2003-09-11 US disclosed
EP-1209166-A1 NOVEL A-500359 DERIVATIVES Sankyo Company, Limited (JP) 2002-05-29 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 (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-20030171330-A1 Antibacterial compound TLR1, MPO, O60361 ALDH1A1 356/4885SOAT1 1534/4885PRKCA 4398/4885
US-20110015156-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE ALDH1A1 599/4885SOAT1 2055/4885PRKCA 4275/4885

“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.