SCHEMBL6546064

SCHEMBL6546064

C=CCCNP(=O)(OCC(=O)OCC)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
HPGD P15428 2/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
HTT P42858 2/20 0.42
GAA P10253 2/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 3/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
BTN3A1 O00481 3/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.36
TP53 P04637 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
SCHEMBL6546178 0.91 ALDH1A1 (0.41) RAB9ANPC1ALDH1A1SMN1; SMN2GAA
SCHEMBL6545960 0.81 GAA (0.40) RAB9ANPC1ALDH1A1SMN1; SMN2HTT
SCHEMBL7206841 0.80 SMN1; SMN2 (0.43) RAB9ANPC1HPGDCRHBPCRHR2
SCHEMBL6545924 0.65 GAA (0.43) RAB9AALDH1A1SMN1; SMN2HTTGAA
Diphenylether SCHEMBL6917810 0.65 SMN1; SMN2 (0.58) RAB9ANPC1HPGDCRHBPCRHR2
Diphenylether SCHEMBL27787224 0.65 NPC1 (0.58) RAB9ANPC1HPGDCRHBPCRHR2
Diphenylether SCHEMBL23165006 0.64 THRB (0.58) RAB9ANPC1HPGDCRHBPCRHR2
SCHEMBL6546182 0.64 MAPT (0.44) RAB9ANPC1HPGDALDH1A1SMN1; SMN2
SCHEMBL5753439 0.64 ERCC5 (0.62) RAB9ANPC1HPGDCRHBPCRHR2
SCHEMBL1222283 0.63 SMN1; SMN2 (0.65) RAB9ANPC1HPGDCRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379533-A2 NOVEL CYCLO AZAPHOSPHA HYDROCARBONS Leo Pharma A/S (DK) 2004-01-14 EP disclosed
US-6605742-B2 Rheumatic diseases; antiarthritic agents; antitumor agents LEO PHARMA A/S (DK) 2003-08-12 US disclosed
US-20020177706-A1 Novel cyclo azaphospha hydrocarbons LEO PHARMA A/S (DK) 2002-11-28 US disclosed
WO-2002083696-A2 NOVEL CYCLO AZAPHOSPHA HYDROCARBONS LEO PHARMA A/S (DK) 2002-10-24 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-20020177706-A1 Novel cyclo azaphospha hydrocarbons CMA1, MMP9, CPA1 RAB9A 2774/4885NPC1 1831/4885HPGD 554/4885

“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.