SCHEMBL2155661

SCHEMBL2155661

CC(=O)OCC1(COC(C)=O)COc2c(C)cccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 6/20 0.35
ALDH1A1 P00352 4/20 0.35
RAB9A P51151 3/20 0.35
CYP3A4 P08684 2/20 0.35
NPC1 O15118 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
POLB P06746 1/20 0.35
CYP2C9 P11712 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 2/20 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
SCHEMBL2155909 0.82 PRKCA (0.37) PRKCACYP3A4
SCHEMBL2156979 0.80 PRKCA (0.44) PRKCASMN1; SMN2MAPTALDH1A1RAB9A
SCHEMBL2156037 0.79 PRKCA (0.36) PRKCASMN1; SMN2MAPTALDH1A1GAA
SCHEMBL2155925 0.79 CYP3A4 (0.39) PRKCAALDH1A1CYP3A4
SCHEMBL17926633 0.71 ALDH1A1 (0.41) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL4618604 0.70 CA1 (0.38) MAPTALDH1A1RAB9ACYP3A4NPC1
SCHEMBL4618601 0.70 CA1 (0.38) MAPTALDH1A1RAB9ACYP3A4NPC1
SCHEMBL2155857 0.70 CYP3A4 (0.43) SMN1; SMN2MAPTALDH1A1CYP3A4CYP2C19
SCHEMBL2156923 0.70 TSHR (0.39) PRKCASMN1; SMN2MAPTALDH1A1CYP3A4
SCHEMBL2155251 0.65 ALDH1A1 (0.36) PRKCASMN1; SMN2MAPTALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080161352-A1 Substituted Benzo-Condensed Cycloheptanone Derivatives and the Use Thereof for Medicament Production GRUENENTHAL GMBH (DE) 2008-07-03 US claimed
US-7973072-B2 Pain, eating disorders, neurodegenerative disorders, memory impairment; attention deficit syndrome, opioid tolerance, drug addiction; (4-oxothiochroman-3,3-diyl)bis(methylene)bis(3-(trifluoromethyl)benzoate for example GRUENENTHAL GMBH (DE) 2011-07-05 US disclosed
US-7973072-B2 Pain, eating disorders, neurodegenerative disorders, memory impairment; attention deficit syndrome, opioid tolerance, drug addiction; (4-oxothiochroman-3,3-diyl)bis(methylene)bis(3-(trifluoromethyl)benzoate for example GRUENENTHAL GMBH (DE) 2011-07-05 US disclosed
US-7973072-B2 Pain, eating disorders, neurodegenerative disorders, memory impairment; attention deficit syndrome, opioid tolerance, drug addiction; (4-oxothiochroman-3,3-diyl)bis(methylene)bis(3-(trifluoromethyl)benzoate for example GRUENENTHAL GMBH (DE) 2011-07-05 US disclosed
US-20080161352-A1 Substituted Benzo-Condensed Cycloheptanone Derivatives and the Use Thereof for Medicament Production GRUENENTHAL GMBH (DE) 2008-07-03 US disclosed
US-20080161352-A1 Substituted Benzo-Condensed Cycloheptanone Derivatives and the Use Thereof for Medicament Production GRUENENTHAL GMBH (DE) 2008-07-03 US disclosed
US-20080161352-A1 Substituted Benzo-Condensed Cycloheptanone Derivatives and the Use Thereof for Medicament Production GRUENENTHAL GMBH (DE) 2008-07-03 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 (1 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-20080161352-A1 Substituted Benzo-Condensed Cycloheptanone Derivatives and the Use Thereof for Medicament Production BCKDK, SYMPK, DHPS PRKCA 4328/4885SMN1; SMN2 4257/4885MAPT 3287/4885

“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.