SCHEMBL6539667

SCHEMBL6539667

COc1ccc(Sc2ccc(CC3COC(C)(C)N3C(=O)O)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.41
CACNA1G O43497 1/20 0.38
GLA P06280 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
CYP2D6 P10635 3/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
MEN1 O00255 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC2A1 P11166 1/20 0.38
SLC6A9 P48067 1/20 0.36
TLR9 Q9NR96 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL6539664 1.00 PTGIR (0.41) PTGIRCACNA1GGLANPSR1SMN1; SMN2
SCHEMBL6541226 0.89 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1MAPK1HPGD
SCHEMBL6540931 0.87 PKM (0.44) CACNA1GGLANPSR1SMN1; SMN2CYP2D6
SCHEMBL6540934 0.87 PKM (0.44) CACNA1GGLANPSR1SMN1; SMN2CYP2D6
SCHEMBL6540884 0.86 CCR3 (0.35) CACNA1GMEN1KMT2ASLC6A9
SCHEMBL6540891 0.86 CCR3 (0.35) CACNA1GMEN1KMT2ASLC6A9
SCHEMBL6540261 0.80 ALOX5 (0.32) SMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL6540273 0.80 ALOX5 (0.32) SMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL6541438 0.80 CAPN1 (0.38) CACNA1GSMN1; SMN2ALDH1A1KMT2AHPGD
SCHEMBL6541442 0.80 CAPN1 (0.38) CACNA1GSMN1; SMN2ALDH1A1KMT2AHPGD

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-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US disclosed
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 PTGIR 714/4885CACNA1G 1691/4885GLA 2183/4885

“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.