SCHEMBL6545932

SCHEMBL6545932

C=CCOP(=O)(OCC=C)c1ccc(OCC(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
GAA P10253 2/20 0.43
HTT P42858 2/20 0.43
CYP2D6 P10635 1/20 0.42
MAPT P10636 5/20 0.38
HPGD P15428 3/20 0.38
POLB P06746 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMPD1 P17405 1/20 0.37
NPC1 O15118 6/20 0.37
RAB9A P51151 5/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NR1H4 Q96RI1 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 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
SCHEMBL6545061 0.83 MAPT (0.49) GAAMAPTPOLBALDH1A1NPC1
SCHEMBL11312190 0.81 ALDH1A1 (0.41) LMNAHTTPOLBKDM4EALDH1A1
SCHEMBL2735754 0.76 PKM (0.35) ALDH1A1TSHRSMN1; SMN2CA12CA1
SCHEMBL6545599 0.73 MAOA (0.38) LMNAGAAHPGDALDH1A1TSHR
SCHEMBL331731 0.72 PKM (0.49) LMNAGAAHTTMAPTPOLB
SCHEMBL123415 0.71 MAPT (0.55) LMNAMAPTHPGDPOLBKDM4E
SCHEMBL6545935 0.71 GAA (0.39) LMNAGAAHTTCYP2D6MAPT
SCHEMBL11308512 0.70 L3MBTL1 (0.50) POLBKDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL11312456 0.69 MEN1 (0.48) LMNAPOLBALDH1A1TSHRSMN1; SMN2
SCHEMBL6545090 0.69 NQO1 (0.42) LMNAMAPTPOLBKDM4EALDH1A1

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

“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.