SCHEMBL1886751

SCHEMBL1886751

COc1cc(OC)c(OC)cc1CCl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.52
CYP3A4 P08684 1/20 0.52
KDM4E B2RXH2 3/20 0.46
CYP19A1 P11511 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TAAR1 Q96RJ0 3/20 0.44
GAA P10253 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
HMGCR P04035 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41

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
SCHEMBL3372657 0.95 TAAR1 (0.47) HTR2ACYP3A4TAAR1GAAHTT
SCHEMBL29643005 0.90 CYP3A4 (0.45) HTR2ACYP3A4KDM4ECYP19A1ALDH1A1
SCHEMBL4042555 0.90 CYP3A4 (0.45) HTR2ACYP3A4KDM4ECYP19A1ALDH1A1
SCHEMBL10730344 0.84 TAAR1 (0.60) HTR2ACYP3A4KDM4EALDH1A1TAAR1
SCHEMBL5872154 0.82 TAAR1 (0.39) HTR2ACYP3A4TAAR1GAAHTT
SCHEMBL13463385 0.81 TAAR1 (0.50) HTR2ACYP3A4ALDH1A1TAAR1GAA
SCHEMBL2542586 0.79 MTNR1A (0.44) HTR2ACYP3A4TAAR1HMGCRPDE4A
SCHEMBL131156 0.79 HTR2A (0.48) HTR2ATAAR1L3MBTL1SMN1; SMN2
SCHEMBL1942790 0.79 HTR2A (0.42) HTR2ATAAR1GAAHTTMAPT
SCHEMBL11696028 0.79 HTR2A (0.37) HTR2ACYP3A4TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947691-B2 Cyclic n-hydroxy imides as inhibitors of flap endonuclease and uses thereof ATHERSYS, INC. (US) 2011-05-24 US disclosed
US-20080287465-A1 Cyclic N-Hydroxy Imides as Inhibitors of Flap Endonuclease and Uses Thereof ATHERSYS, INC. (US) 2008-11-20 US disclosed
WO-2006014647-A2 CYCLIC N-HYDROXY IMIDES AS INHIBITORS OF FLAP ENDONUCLEASE AND USES THEREOF ATHERSYS, INC. (US) 2006-02-09 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-20080287465-A1 Cyclic N-Hydroxy Imides as Inhibitors of Flap Endonuclease and Uses Thereof FEN1, UNG, POLH HTR2A 3981/4885CYP3A4 1351/4885KDM4E 1575/4885

“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.