SCHEMBL5597964

SCHEMBL5597964

COc1ccc(-c2cc(-c3ccco3)on2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.67
NPC1 O15118 3/20 0.67
ALDH1A1 P00352 5/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
SMN1; SMN2 Q16637 5/20 0.53
MAPT P10636 3/20 0.53
KDM4E B2RXH2 3/20 0.53
HPGD P15428 2/20 0.53
USP2 O75604 1/20 0.53
HSD17B10 Q99714 1/20 0.53
PTPN1 P18031 1/20 0.52
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ADORA2A P29274 2/20 0.48
ADORA1 P30542 2/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL5597792 0.84 NPC1 (0.54) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL1181029 0.82 NPC1 (0.87) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL1180809 0.81 NPC1 (0.78) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL5597913 0.80 HSD17B1 (0.60) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL17084385 0.80 NPC1 (1.00) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL17084387 0.80 NPC1 (1.00) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL1180333 0.78 NPC1 (0.78) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL3685934 0.77 TAAR1 (0.55) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL21122048 0.77 RAB9A (0.77) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL17084390 0.77 NPC1 (0.77) RAB9ANPC1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1815860-A2 Phosphate transport inhibitors GENZYME CORPORATION (US) 2007-08-08 EP disclosed
EP-1815860-A2 Phosphate transport inhibitors GENZYME CORPORATION (US) 2007-08-08 EP disclosed
US-20070021509-A1 Phosphate transport inhibitors JOZEFIAK THOMAS H 2007-01-25 US disclosed
US-20070021509-A1 Phosphate transport inhibitors JOZEFIAK THOMAS H 2007-01-25 US disclosed
US-20070021509-A1 Phosphate transport inhibitors JOZEFIAK THOMAS H 2007-01-25 US disclosed
US-7119120-B2 Phosphate transport inhibitors GENZYME CORPORATION (US) 2006-10-10 US disclosed
EP-1465638-A2 PHOSPHATE TRANSPORT INHIBITORS GENZYME CORPORATION (US) 2004-10-13 EP disclosed
US-20040019113-A1 Phosphate transport inhibitors GELTEX PHARMACEUTICALS, INC. 2004-01-29 US disclosed
WO-2003057225-A2 PHOSPHATE TRANSPORT INHIBITORS GENZYME CORPORATION (US) 2003-07-17 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-20040019113-A1 Phosphate transport inhibitors SLC34A1, SLC34A2, SLC20A1 RAB9A 2346/4885NPC1 183/4885ALDH1A1 3045/4885
US-20070021509-A1 Phosphate transport inhibitors SLC34A2, SLC34A1, SLC20A1 RAB9A 2409/4885NPC1 186/4885ALDH1A1 2163/4885

“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.