SCHEMBL1495909

SCHEMBL1495909

CC1(C)CCCc2cc(OCC3CO3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.50
ALDH1A1 P00352 7/20 0.48
TP53 P04637 3/20 0.48
TSHR P16473 3/20 0.48
HIF1A Q16665 3/20 0.48
CYP3A4 P08684 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 5/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HPGD P15428 3/20 0.43
PKM P14618 2/20 0.43
CYP1A2 P05177 1/20 0.43
PPARG P37231 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 3/20 0.42

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
SCHEMBL1495907 1.00 GRM2 (0.50) GRM2ALDH1A1TP53TSHRHIF1A
SCHEMBL1495871 0.92 GRM2 (0.57) GRM2ALDH1A1TP53TSHRHIF1A
SCHEMBL1495873 0.81 GRM2 (0.48) GRM2ALDH1A1MAPTHSD17B10CYP2C9
SCHEMBL14085502 0.81 ALDH1A1 (0.47) GRM2ALDH1A1TP53TSHRHIF1A
SCHEMBL3142670 0.80 SMN1; SMN2 (0.59) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL7964625 0.80 ALDH1A1 (0.59) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL7964624 0.80 ALDH1A1 (0.59) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL3133660 0.80 ALDH1A1 (0.59) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL4640481 0.75 KDM1A (0.61) CYP2C19LMNAKDM1A
SCHEMBL14725203 0.75 ALDH1A1 (0.53) GRM2ALDH1A1TP53TSHRHIF1A

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-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-2011034832-A1 SUBSTITUTED PHENOXYMETHYL DIHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF SANOFI-AVENTIS (FR) 2011-03-24 WO 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 GRM2 1/4885ALDH1A1 2103/4885TP53 4882/4885

“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.