SCHEMBL1495859

SCHEMBL1495859

CC1(C)CCCCc2cc(O)ccc21

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 13/20 0.54
ESR1 P03372 11/20 0.54
SOD1 P00441 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
DRD3 P35462 1/20 0.41
NR3C1 P04150 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
PRKCI P41743 1/20 0.40

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
SCHEMBL30250372 0.95 ESR2 (0.51) ESR2ESR1SOD1ALDH1A1LMNA
SCHEMBL1495864 0.95 ESR2 (0.51) ESR2ESR1SOD1ALDH1A1LMNA
SCHEMBL29890280 0.87 ESR2 (0.58) ESR2ESR1SOD1ALDH1A1LMNA
SCHEMBL1495880 0.87 ESR2 (0.58) ESR2ESR1SOD1ALDH1A1LMNA
SCHEMBL6711237 0.81 ALDH1A1 (0.46) ESR2ESR1ALDH1A1LMNACYP3A4
SCHEMBL12014319 0.79 DRD2 (0.47) ESR2ESR1ALDH1A1LMNACYP3A4
SCHEMBL9418955 0.77 KARS1 (0.42) LMNACYP3A4
SCHEMBL8438975 0.77 RXRA (0.44) ESR2ESR1ALDH1A1LMNACYP3A4
SCHEMBL9446483 0.77 CYP26A1 (0.55) ALDH1A1CYP3A4
SCHEMBL12878860 0.76 KDM1A (0.57)

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-9051331-B2 Substituted dihydro benzocycloalkyloxymethyl oxazolopyrimidinones, preparation and use thereof SANOFI (FR) 2015-06-09 US disclosed
EP-2477994-B1 SUBSTITUTED DIHYDRO BENZOCYCLOALKYLOXYMETHYL OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF SANOFI SA (FR) 2013-12-11 EP disclosed
EP-2477994-A1 SUBSTITUTED DIHYDRO BENZOCYCLOALKYLOXYMETHYL OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF SANOFI (FR) 2012-07-25 EP disclosed
US-20120184566-A1 SUBSTITUTED DIHYDRO BENZOCYCLOALKYLOXYMETHYL OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF SANOFI (FR) 2012-07-19 US disclosed
WO-2011034830-A1 SUBSTITUTED DIHYDRO BENZOCYCLOALKYLOXYMETHYL OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF SANOFI-AVENTIS (FR) 2011-03-24 WO 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-20120184566-A1 SUBSTITUTED DIHYDRO BENZOCYCLOALKYLOXYMETHYL OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF GRM2, GRM1, GRIN2C ESR2 402/4885ESR1 512/4885SOD1 4133/4885

“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.