SCHEMBL5217488

SCHEMBL5217488

CCOC(=O)c1ccc(-c2ccc(OCC3CO3)c(C#N)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.45
VDR P11473 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
FDFT1 P37268 1/20 0.39
MAPT P10636 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
HTT P42858 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38

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
SCHEMBL5217933 0.82 HPGD (0.56) HPGDALDH1A1HSD17B10KDM4EMAPT
SCHEMBL6053636 0.78 HSD17B10 (0.41) HPGDVDRALDH1A1HSD17B10KDM4E
SCHEMBL5222285 0.78 CA12 (0.48) HPGDALDH1A1HSD17B10KDM4EMAPT
SCHEMBL5072409 0.75 VDR (0.39) HPGDVDRALDH1A1HSD17B10KDM4E
SCHEMBL8536518 0.73 ALDH1A1 (0.51) HPGDALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL11594175 0.73 ALDH1A1 (0.52) VDRALDH1A1KDM4EHTTGLA
SCHEMBL11593802 0.73 ALDH1A1 (0.52) VDRALDH1A1KDM4EHTTGLA
SCHEMBL5219920 0.73 CYP1A2 (0.43) HPGDVDRALDH1A1HSD17B10KDM4E
SCHEMBL11592549 0.72 HSD17B2 (0.56) HPGDALDH1A1KDM4EMAPTCYP2C19
SCHEMBL11591611 0.72 HSD17B2 (0.56) ALDH1A1KDM4EMAPTCYP2C19HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1368318-B1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-12-05 EP disclosed
US-6864267-B2 Calcilytic compounds SMITHKLINE BEECHAM CORPORATION (US) 2005-03-08 US disclosed
EP-1368318-A2 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2003-12-10 EP disclosed
US-20030212110-A1 Glandular disorders; bone disorders SMITHKLINE BEECHAM CORPORATION 2003-11-13 US disclosed
WO-2002007673-A2 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-01-31 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-20030212110-A1 Glandular disorders; bone disorders CYP24A1, PTH1R, SOST HPGD 87/4885VDR 10/4885ALDH1A1 3551/4885

“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.