SCHEMBL4943873

SCHEMBL4943873

CCCc1c(OCc2cccc(C=O)c2)ccc(C(C)=O)c1O

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 13/20 0.58
GRM2 Q14416 7/20 0.58
CYSLTR2 Q9NS75 7/20 0.53
CTSD P07339 1/20 0.52
MAPT P10636 2/20 0.48
CYP2C9 P11712 2/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
NFKB1 P19838 1/20 0.48
PPARG P37231 1/20 0.48
BLM P54132 1/20 0.48
PPARD Q03181 1/20 0.48
PPARA Q07869 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PDE5A O76074 1/20 0.47

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
SCHEMBL10957555 0.89 CYSLTR1 (0.58) CYSLTR1GRM2CYSLTR2CTSDLMNA
SCHEMBL10957548 0.89 CYSLTR1 (0.58) CYSLTR1GRM2CYSLTR2CTSDLMNA
SCHEMBL7958997 0.86 CTSD (0.63) CYSLTR1GRM2CYSLTR2CTSDMAPT
SCHEMBL10975157 0.85 CYSLTR1 (0.55) CYSLTR1GRM2CYSLTR2CTSDMAPT
SCHEMBL10727546 0.84 CYSLTR1 (0.60) CYSLTR1GRM2CYSLTR2CTSDMAPT
SCHEMBL2893372 0.84 CYSLTR1 (0.60) CYSLTR1GRM2CYSLTR2CTSDMAPT
SCHEMBL4945030 0.84 CYSLTR1 (0.60) CYSLTR1GRM2CYSLTR2CTSDMAPT
SCHEMBL13452652 0.84 CYSLTR1 (0.55) CYSLTR1GRM2CYSLTR2CTSDMAPT
SCHEMBL10975153 0.84 CYSLTR1 (0.52) CYSLTR1GRM2CYSLTR2CTSDPPARG
SCHEMBL9120538 0.84 MAPT (0.67) CYSLTR1GRM2CYSLTR2CTSDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293684-A1 Heterocyclic Acetophenone Potentiators of Metabotropic Glutamate Receptors MERCK SHARP & DOHME CORP. 2008-11-27 US disclosed
EP-1773774-A2 HETEROCYCLIC ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merck & Co., Inc. (US) 2007-04-18 EP disclosed
WO-2006014918-A2 HETEROCYCLIC ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO., INC. (US) 2006-02-09 WO disclosed
US-6251928-B1 ADMINISTERING BENZYLIDENE RHODANINES WHICH ARE USEFUL AS AGENTS IN TREATING OR PREVENTING CONDITIONS ASSOCIATED WITH BETA-AMYLOID PEPTIDE IN A MAMMAL ELI LILLY AND COMPANY 2001-06-26 US disclosed
US-5747517-A ALZHEIMER'S DISEASE; PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 1998-05-05 US disclosed
EP-0677517-A1 Treatment of Alzheimer's disease employing inhibitors of cathepsin D ELI LILLY AND COMPANY (US) 1995-10-18 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 (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-20080293684-A1 Heterocyclic Acetophenone Potentiators of Metabotropic Glutamate Receptors GRM2, GRM1, GRIK2 CYSLTR1 303/4885GRM2 1/4885CYSLTR2 220/4885

“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.