SCHEMBL6545481

SCHEMBL6545481

C=CCCC(c1ccc(OCC)cc1)P(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NQO1 P15559 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
MMP14 P50281 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
SCHEMBL2992436 0.77 ACP3 (0.60)
Phenetole SCHEMBL28126895 0.70 TDP1 (0.49) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL6545090 0.67 NQO1 (0.42) MAPTNPC1POLBRAB9ASMN1; SMN2
Calcium SCHEMBL11208488 0.67 SLC2A1 (0.42) SMN1; SMN2
SCHEMBL7437991 0.66 ACACB (0.46) ACACBMAPTNPC1POLBRAB9A
SCHEMBL16301967 0.65 NQO1 (0.54) MAPTNPC1POLBRAB9ASMN1; SMN2
SCHEMBL8073008 0.65 NQO1 (0.54) ACACBMAPTNPC1POLBRAB9A
SCHEMBL7437986 0.65 FFAR1 (0.50) ACACBMAPTNPC1POLBRAB9A
SCHEMBL20879620 0.65 NQO1 (0.58) NPC1POLBRAB9ANQO1ALDH1A1
SCHEMBL21389870 0.65 NQO1 (0.58) NPC1POLBRAB9ASMN1; SMN2NQO1

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 ACACB 2391/4885MAPT 4794/4885NPC1 1831/4885

“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.