SCHEMBL6498462

SCHEMBL6498462

CCCCCC(=O)Nc1cnc2ccc(OC)c(OC)c2c1O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
EPHX2 P34913 1/20 0.43
DEGS1 O15121 1/20 0.43
MAPT P10636 1/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
TRPV1 Q8NER1 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
SCHEMBL6493124 0.79 KDR (0.53) GAATDP1L3MBTL1TRPV1
SCHEMBL6501641 0.77 ALDH1A1 (0.47) GAAL3MBTL1DEGS1LMNAALDH1A1
SCHEMBL6499469 0.76 GLA (0.48) GAAL3MBTL1DEGS1LMNAALDH1A1
SCHEMBL25689106 0.76 RAB9A (0.47) GAAL3MBTL1DEGS1LMNAALDH1A1
SCHEMBL6500635 0.73 EP300 (0.57) GAAL3MBTL1DEGS1LMNAALDH1A1
SCHEMBL25688716 0.73 RAB9A (0.47) GAADEGS1ALDH1A1HPGD
SCHEMBL6499707 0.70 GAA (0.52) GAATDP1L3MBTL1DEGS1MAPT
SCHEMBL11504381 0.70 GAA (0.76) GAATDP1L3MBTL1EPHX2DEGS1
SCHEMBL6489167 0.70 GLA (0.54) GAAL3MBTL1DEGS1ALDH1A1CYP1A2
SCHEMBL10961688 0.68 HDAC3 (0.77) GAATDP1L3MBTL1ALDH1A1

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-6908932-B2 Cancer therapy ICONIX PHARMACEUTICALS, INC. (US) 2005-06-21 US disclosed
US-20030149074-A1 Modulators of phosphoinositide 3-kinase ENTELOS HOLDING CORP. 2003-08-07 US disclosed
WO-2003035618-A2 MODULATORS OF PHOSPHOINOSITIDE 3-KINASE ICONIX PHARMACEUTICALS, INC. (US) 2003-05-01 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-20030149074-A1 Modulators of phosphoinositide 3-kinase PIK3R1, PIK3R3, PIK3R4 GAA 3724/4885TDP1 2263/4885L3MBTL1 1422/4885

“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.