SCHEMBL7082017

SCHEMBL7082017

COc1ccccc1C(=O)OCC(=O)c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.79
RAB9A P51151 4/20 0.79
KMT2A Q03164 3/20 0.67
HTT P42858 3/20 0.67
L3MBTL1 Q9Y468 3/20 0.67
ALDH1A1 P00352 2/20 0.67
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
MAPT P10636 2/20 0.56
LMNA P02545 1/20 0.56
GAA P10253 2/20 0.55
KDM4E B2RXH2 2/20 0.54
ATM Q13315 1/20 0.54
TSHR P16473 1/20 0.54
HPGD P15428 2/20 0.53
MEN1 O00255 1/20 0.52

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
SCHEMBL2301959 0.88 KMT2A (0.64) NPC1RAB9AKMT2AHTTL3MBTL1
SCHEMBL17010765 0.86 L3MBTL1 (0.62) NPC1RAB9AKMT2AHTTL3MBTL1
SCHEMBL12715452 0.82 ALDH1A1 (0.63) NPC1RAB9AKMT2AHTTL3MBTL1
SCHEMBL15979736 0.79 NPC1 (0.76) NPC1RAB9AKMT2AHTTL3MBTL1
SCHEMBL8208699 0.79 CYP1A2 (0.64) NPC1RAB9AKMT2AHTTL3MBTL1
SCHEMBL1898771 0.79 NPC1 (1.00) NPC1RAB9AKMT2AHTTL3MBTL1
SCHEMBL29356203 0.79 NPC1 (1.00) NPC1RAB9AKMT2AHTTL3MBTL1
SCHEMBL873499 0.78 TSHR (0.71) NPC1RAB9AKMT2AHTTL3MBTL1
SCHEMBL6895565 0.78 ALDH1A1 (0.58) NPC1RAB9AKMT2AHTTL3MBTL1
SCHEMBL29678391 0.78 TSHR (0.71) NPC1RAB9AKMT2AHTTL3MBTL1

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-6610738-B2 Treatment of Alzheimer's Disease by combining both acetylcholinesterase inhibitory activity and antioxidant activity (by virtue of their carbamoyl and flavonoid pharmacophores) BIOGAL PHARMACEUTICAL CO., LTD. (HU) 2003-08-26 US disclosed
EP-1322632-A1 N-DISUBSTITUTED CARBAMOYLOXY FLAVONES Biogal Pharmaceutical Co., Ltd (HU) 2003-07-02 EP disclosed
US-20020128494-A1 N-Disubstituted carbamoyloxy flavones BIOGAL PHARMACEUTICAL CO., LTD. (HU) 2002-09-12 US disclosed
WO-2002024677-A1 N-DISUBSTITUTED CARBAMOYLOXY FLAVONES BIOGAL PHARMACEUTICAL CO., LTD. (HU) 2002-03-28 WO disclosed
WO-2002024676-A1 N-DISUBSTITUTED CARBAMOYLOXY FLAVONES TEVA PHARMACEUTICALS INDUSTRIES, LTD. (IL) 2002-03-28 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-20020128494-A1 N-Disubstituted carbamoyloxy flavones CBR3, FOS, CBR1 NPC1 1055/4885RAB9A 709/4885KMT2A 2515/4885

“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.