SCHEMBL6545935

SCHEMBL6545935

C=CCOP(=O)(O)c1ccc(OCC(C)C)cc1CC=C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
CYP2D6 P10635 1/20 0.38
NR1H4 Q96RI1 2/20 0.36
XDH P47989 1/20 0.35
TRIM24 O15164 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
MC4R P32245 1/20 0.34
PAX8 Q06710 1/20 0.34
SMPD1 P17405 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL6545064 0.87 MAPT (0.43) GAALMNANPC1RAB9ASMN1; SMN2
SCHEMBL6545602 0.78 CA2 (0.39) GAALMNAKMT2AMAPTMEN1
SCHEMBL6546173 0.73 GABRA1 (0.38) HTTNPC1SMN1; SMN2KMT2AMAPT
SCHEMBL6545932 0.71 LMNA (0.43) GAAHTTLMNACYP2D6NR1H4
SCHEMBL28332945 0.67 ALDH1A1 (0.41) SMN1; SMN2KMT2AMAPTMEN1ALDH1A1
SCHEMBL6545094 0.66 MAPT (0.34) NPC1RAB9ASMN1; SMN2MAPTCA12
SCHEMBL28334824 0.63 THRA (0.41) CYP2D6ALDH1A1
SCHEMBL25329142 0.62 ADRB2 (0.44) LMNAXDHTRIM24ADRB2ADRB1
SCHEMBL21327850 0.62 NR1H4 (0.47) NR1H4XDHMAPTALDH1A1
SCHEMBL2847227 0.62 GABRA1 (0.49) GAALMNAKMT2AMAPTMEN1

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 GAA 701/4885HTT 4549/4885LMNA 3479/4885

“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.