SCHEMBL5745259

SCHEMBL5745259

COc1ccc2oc(C(=O)O)c(OCC3CC=CCC3C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.43
NPC1 O15118 8/20 0.43
RAB9A P51151 8/20 0.43
ALDH1A1 P00352 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
HSD17B10 Q99714 4/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.40
EDNRA P25101 1/20 0.39

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
SCHEMBL5734004 0.82 KDM4E (0.45) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL5733487 0.82 KDM4E (0.51) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4770113 0.81 KDM4E (0.49) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4762869 0.81 NPC1 (0.50) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4766268 0.80 RAB9A (0.52) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4773650 0.80 RAB9A (0.52) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4766424 0.78 KDM4E (0.45) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7001218 0.78 KDM4E (0.64) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL6234986 0.77 KDM4E (0.61) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7074007 0.76 KDM4E (0.54) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2

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
EP-1644364-A1 TETRAZOL BENZOFURANCARBOXAMIDES WITH PI3K ACTIVITY AS THERAPEUTIC AGENTS Warner-Lambert Company LLC (US) 2006-04-12 EP disclosed
US-20050020631-A1 3-Substituted benzofurans as therapeutic agents GOGLIOTTI ROCCO DEAN (US) 2005-01-27 US disclosed
WO-2004108709-A1 TETRAZOL BENZOFURANCARBOXAMIDES WITH P13K AKTIVITY AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-12-16 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-20050020631-A1 3-Substituted benzofurans as therapeutic agents CYP4F11, BPTF, F3 KDM4E 2213/4885NPC1 865/4885RAB9A 3653/4885

“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.