SCHEMBL6044463

SCHEMBL6044463

CCOC(=O)c1cc2c(c(OCc3ccccc3)c1)OCCO2

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
TSHR P16473 2/20 0.44
POLB P06746 1/20 0.44
PPIA P62937 2/20 0.44
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
PLK1 P53350 1/20 0.42

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
SCHEMBL20171129 0.88 HPGD (0.54) HSD17B10TSHRPOLBPPIAHPGD
SCHEMBL4909097 0.85 HSD17B10 (0.45) HSD17B10TSHRPOLBPPIAHPGD
SCHEMBL7301957 0.83 MAOB (0.47) HSD17B10POLBHPGDGAANPC1
SCHEMBL28834772 0.79 HPGD (0.54) TSHRPPIAHPGDNPC1RAB9A
SCHEMBL3375913 0.79 PLK1 (0.49) TSHRPOLBHPGDGAANPC1
SCHEMBL16000138 0.79 MAOB (0.51) HPGDNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL28633934 0.79 KDM4E (0.56) PPIAHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL4403626 0.76 SMN1; SMN2 (0.61) HSD17B10POLBPPIAHPGDNPC1
SCHEMBL16055314 0.76 MRGPRX4 (0.53) HSD17B10POLBPPIAHPGDNPC1
SCHEMBL16055886 0.76 SMN1; SMN2 (0.54) HSD17B10POLBPPIAHPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160731-A1 Peptide nucleic acids BUCHARDT OLE 2006-07-20 US disclosed
US-20060154926-A1 Methods of treating alzheimer's disease using aryl alkanoic acid amides ELAN PHARMACEUTICALS, INC. 2006-07-13 US disclosed
WO-2003103653-A1 METHODS OF TREATING ALZHEIMER'S DISEASE USING ARYL ALKANOIC ACID AMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 WO disclosed
US-5705658-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-01-06 US disclosed
US-5654445-A INTERMEDIATES FOR RENIN INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-08-05 US disclosed
US-5646143-A FOR TREATING A VARIETY OF CONDITIONS CIBA-GEIGY CORPORATION (US) 1997-07-08 US disclosed
US-5627182-A RENIN INHIBITORS FOR USE AS HYPOTENSIVE AGENTS CIBA GEIGY CORPORATION (US) 1997-05-06 US disclosed
US-5559111-A HYPOTENSIVE AGENTS; RENIN INHIBITORS; Aliskiren CIBA-GEIGY CORPORATION (US) 1996-09-24 US 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-20060160731-A1 Peptide nucleic acids RNGTT, POLM, POLRMT HSD17B10 4195/4885TSHR 1360/4885POLB 22/4885
US-20060154926-A1 Methods of treating alzheimer's disease using aryl alkanoic acid amides BACE1, APP, PSEN1 HSD17B10 580/4885TSHR 876/4885POLB 2938/4885

“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.