SCHEMBL4770113

SCHEMBL4770113

COc1ccc2oc(C(=O)O)c(OCC3CCC3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.49
ALDH1A1 P00352 6/20 0.49
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
HSD17B10 Q99714 4/20 0.49
MAPT P10636 3/20 0.49
HPGD P15428 3/20 0.49
POLB P06746 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL4762869 0.98 NPC1 (0.50) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4766268 0.97 RAB9A (0.52) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4773650 0.97 RAB9A (0.52) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5733487 0.95 KDM4E (0.51) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5733474 0.87 NPC1 (0.48) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5734004 0.86 KDM4E (0.45) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5735991 0.85 KDM4E (0.57) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5734369 0.85 RAB9A (0.49) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5735830 0.84 KDM4E (0.49) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5733616 0.84 MCL1 (0.50) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287469-A1 Phosphoinositide 3-Kinase Inhibitors for Inhibiting Leukocyte Accumulation DIACOVO THOMAS G 2008-11-20 US claimed
EP-1885356-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITORS FOR INHIBITING LEUKOCYTE ACCUMULATION ICOS CORPORATION (US) 2008-02-13 EP claimed
WO-2006089106-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITORS FOR INHIBITING LEUKOCYTE ACCUMULATION ICOS CORPORATION (US) 2006-08-24 WO claimed
EP-1644364-A1 TETRAZOL BENZOFURANCARBOXAMIDES WITH PI3K ACTIVITY AS THERAPEUTIC AGENTS Warner-Lambert Company LLC (US) 2006-04-12 EP claimed
US-20050020631-A1 3-Substituted benzofurans as therapeutic agents GOGLIOTTI ROCCO DEAN (US) 2005-01-27 US claimed
WO-2004108709-A1 TETRAZOL BENZOFURANCARBOXAMIDES WITH P13K AKTIVITY AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-12-16 WO claimed
US-20080287469-A1 Phosphoinositide 3-Kinase Inhibitors for Inhibiting Leukocyte Accumulation DIACOVO THOMAS G 2008-11-20 US disclosed
EP-1885356-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITORS FOR INHIBITING LEUKOCYTE ACCUMULATION ICOS CORPORATION (US) 2008-02-13 EP disclosed
WO-2006089106-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITORS FOR INHIBITING LEUKOCYTE ACCUMULATION ICOS CORPORATION (US) 2006-08-24 WO disclosed
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 (2 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 2213/4885ALDH1A1 103/4885NPC1 865/4885
US-20080287469-A1 Phosphoinositide 3-Kinase Inhibitors for Inhibiting Leukocyte Accumulation PI4KB, PIK3CA, PI4KA KDM4E 2527/4885ALDH1A1 3844/4885NPC1 3415/4885

“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.