SCHEMBL3448797

SCHEMBL3448797

COCCn1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)OC)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.33
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.33
HSD17B10 Q99714 2/20 0.33
BRD4 O60885 2/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
DGAT1 O75907 1/20 0.33
ATM Q13315 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL3449125 0.90 BAZ2B (0.39) CNR1CNR2KDM4EALDH1A1MAPT
SCHEMBL3449876 0.85 MAPT (0.32) SMN1; SMN2KDM4EALDH1A1MAPTHSD17B10
SCHEMBL3447652 0.84 SMN1; SMN2 (0.53) CNR1CNR2SMN1; SMN2ALDH1A1KMT2A
SCHEMBL3374281 0.83 BRD4 (0.43) KDM4EALDH1A1MAPTHSD17B10BRD4
SCHEMBL3448009 0.80 SMN1; SMN2 (0.41) CNR1CNR2SMN1; SMN2KDM4EALDH1A1
SCHEMBL3447014 0.78 BAZ2B (0.41) KDM4EALDH1A1MAPTHSD17B10GLA
SCHEMBL3371322 0.76 LMNA (0.40) KDM4EALDH1A1MAPTHSD17B10GLA
SCHEMBL3449202 0.75 SMN1; SMN2 (0.47) CNR1CNR2SMN1; SMN2KDM4EALDH1A1
SCHEMBL506428 0.74 LPL (0.38) CNR1CNR2DGAT1
SCHEMBL20561766 0.73 HIF1A (0.36) KDM4EALDH1A1MAPTHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD CNR1 653/4885CNR2 517/4885SMN1; SMN2 3328/4885

“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.