SCHEMBL2155281

SCHEMBL2155281

CC(=O)OCC1(COC(C)=O)COc2cc(OC(C)=O)ccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 3/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
USP2 O75604 2/20 0.40
HTT P42858 1/20 0.40
CYP3A4 P08684 2/20 0.39
RECQL P46063 1/20 0.38
CA2 P00918 2/20 0.38
CA5A P35218 2/20 0.38
GSTP1 P09211 1/20 0.38
GAPDH P04406 1/20 0.38
PRKCA P17252 1/20 0.38
POLB P06746 2/20 0.38
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 2/20 0.37
GLA P06280 2/20 0.37

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
SCHEMBL2155857 0.90 CYP3A4 (0.43) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL2156103 0.85 PRKCA (0.39) ALDH1A1SMN1; SMN2USP2CYP3A4CA2
SCHEMBL2155251 0.84 ALDH1A1 (0.36) MAPTALDH1A1SMN1; SMN2KMT2APRKCA
SCHEMBL2155276 0.83 MAPT (0.40) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL2156979 0.81 PRKCA (0.44) MAPTALDH1A1SMN1; SMN2LMNACYP3A4
SCHEMBL4618511 0.80 MAPT (0.45) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL4618514 0.80 MAPT (0.45) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL12395267 0.76 MAPT (0.46) MAPTALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL2156923 0.73 TSHR (0.39) MAPTALDH1A1SMN1; SMN2LMNACYP3A4
SCHEMBL24217811 0.72 CYP3A4 (0.37) MAPTALDH1A1SMN1; SMN2LMNAKMT2A

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 MAPT 3287/4885ALDH1A1 1598/4885SMN1; SMN2 4257/4885

“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.