SCHEMBL4773650

SCHEMBL4773650

COc1ccc2oc(C(=O)O)c(OCC3CCCCCC3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.52
NPC1 O15118 5/20 0.52
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
KDM4E B2RXH2 7/20 0.48
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
HSD17B10 Q99714 4/20 0.48
MAPT P10636 3/20 0.48
HPGD P15428 3/20 0.48
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
PARP15 Q460N3 1/20 0.45
PARP10 Q53GL7 1/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL4766268 1.00 RAB9A (0.52) RAB9ANPC1MTNR1AMTNR1BKDM4E
SCHEMBL4762869 0.99 NPC1 (0.50) RAB9ANPC1MTNR1AMTNR1BKDM4E
SCHEMBL4770113 0.97 KDM4E (0.49) RAB9ANPC1MTNR1AMTNR1BKDM4E
SCHEMBL5733487 0.94 KDM4E (0.51) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL5734369 0.88 RAB9A (0.49) RAB9ANPC1MTNR1AMTNR1BKDM4E
SCHEMBL5733474 0.88 NPC1 (0.48) RAB9ANPC1MTNR1AMTNR1BKDM4E
SCHEMBL5734004 0.85 KDM4E (0.45) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL5735991 0.84 KDM4E (0.57) RAB9ANPC1MTNR1AMTNR1BKDM4E
SCHEMBL5735830 0.83 KDM4E (0.49) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL5737118 0.83 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 RAB9A 3653/4885NPC1 865/4885MTNR1A 1171/4885
US-20080287469-A1 Phosphoinositide 3-Kinase Inhibitors for Inhibiting Leukocyte Accumulation PI4KB, PIK3CA, PI4KA RAB9A 2159/4885NPC1 3415/4885MTNR1A 4148/4885

“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.