SCHEMBL4140119

SCHEMBL4140119

CCOC(=O)C1=C(NC(=O)c2ccco2)CCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.62
▸ KDM4E B2RXH2 7/20 0.62
▸ HPGD P15428 6/20 0.62
▸ HSD17B10 Q99714 5/20 0.62
▸ NPSR1 Q6W5P4 4/20 0.62
▸ GAA P10253 1/20 0.62
▸ MAPK1 P28482 3/20 0.61
▸ USP2 O75604 2/20 0.61
▸ MAPT P10636 2/20 0.61
▸ ALOX15 P16050 1/20 0.61
▸ PTGER2 P43116 1/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ RAB9A P51151 5/20 0.59
▸ NPC1 O15118 4/20 0.59
▸ TSHR P16473 1/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ ADORA2A P29274 1/20 0.51
▸ ADORA1 P30542 1/20 0.51

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
SCHEMBL4143565 0.80 ALDH1A1 (0.58) ALDH1A1HPGDGAAUSP2MAPT
SCHEMBL14571459 0.80 SMN1; SMN2 (0.57) ALDH1A1KDM4EHPGDNPSR1GAA
SCHEMBL16489813 0.77 CYP1A2 (0.52) ALDH1A1KDM4EHPGDNPSR1GAA
SCHEMBL5449432 0.77 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL4144728 0.77 HPGD (0.61) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL5252691 0.76 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDMAPTTDP1
SCHEMBL5442151 0.75 SGMS2 (0.55) ALDH1A1GAAMAPTL3MBTL1RAB9A
SCHEMBL14722040 0.75 GRM5 (0.52) ALDH1A1KDM4EHPGDMAPTRAB9A
SCHEMBL5657293 0.74 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL8120086 0.74 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDHSD17B10NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 — — US disclosed
EP-1951244-A2 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-06 — — EP disclosed
WO-2007062370-A2 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 — — 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-20090137557-A1 Calcilytic Compounds CALCR, SOST, CALCB ALDH1A1 4674/4885KDM4E 4712/4885HPGD 2097/4885

“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.

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