SCHEMBL3445407

SCHEMBL3445407

CCc1c(C(C)C)nc(C(C)C)c(COC)c1-c1ccc(F)cc1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCGR P47871 19/20 0.78
ESR1 P03372 1/20 0.52
HMGCR P04035 1/20 0.52
CHRM1 P11229 1/20 0.52
TBXA2R P21731 1/20 0.52
PDE4A P27815 1/20 0.52
ADRA1A P35348 1/20 0.52

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
SCHEMBL7720729 0.94 GCGR (0.86) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL6953288 0.88 GCGR (1.00) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL6871563 0.86 GCGR (0.74) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL6747779 0.86 GCGR (0.74) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL15029058 0.84 GCGR (0.73) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL18947969 0.83 GCGR (0.70) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL18947967 0.83 GCGR (0.70) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL2647903 0.83 GCGR (1.00) GCGR
SCHEMBL3407031 0.83 GCGR (0.69) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL7077308 0.82 GCGR (0.67) GCGRESR1HMGCRCHRM1TBXA2R

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
EP-2387566-B1 PROCESS FOR THE PREPARATION OF ROSUVASTATIN KRKA TOVARNA ZDRAVIL D D NOVO MESTO (SI) 2014-05-07 EP disclosed
US-20120101061-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION A.T. Resolve Sarl (CH) 2012-04-26 US disclosed
WO-2011141934-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF AN INTERMEDIATE OF HMG-COA REDUCTASE INHIBITORS MATRIX LABORATORIES LTD. (IN) 2011-11-17 WO disclosed
US-20110245528-A1 THERAPEUTIC COMPOUNDS SCHWARTZ C ERIC 2011-10-06 US disclosed
US-20070254897-A1 Compositions and methods for the treatment of cardiovascular disease RESOLVYX PHARMACEUTICALS, INC. (US) 2007-11-01 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 (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-20070254897-A1 Compositions and methods for the treatment of cardiovascular disease ALOX15B, ALOX5, ALOX15 GCGR 620/4885ESR1 3183/4885HMGCR 32/4885
US-20120101061-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION ALOX15B, ALOX5, ALOX12 GCGR 1236/4885ESR1 1747/4885HMGCR 137/4885
US-20110245528-A1 THERAPEUTIC COMPOUNDS ALOX5, ALOX15B, ALOX12 GCGR 1565/4885ESR1 2628/4885HMGCR 69/4885

“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.