SCHEMBL6545834

SCHEMBL6545834

C=CCCOP(=O)(O)c1ccccc1CCC=C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.35
LPAR2 Q9HBW0 1/20 0.35
LPAR3 Q9UBY5 1/20 0.35
NPC1 O15118 2/20 0.33
POLB P06746 2/20 0.33
PTK2B Q14289 1/20 0.33
RAB9A P51151 1/20 0.33
TSHR P16473 2/20 0.31
ALOX15 P16050 1/20 0.31
MAPT P10636 1/20 0.31
PLA2G2D Q9UNK4 1/20 0.30
ANPEP P15144 2/20 0.30
ERAP1 Q9NZ08 2/20 0.30
ERAP2 Q6P179 1/20 0.30

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
SCHEMBL6545832 0.85 KDM4E (0.34) KDM4ELPAR2LPAR3
SCHEMBL6545926 0.81 GAA (0.38) ALDH1A1KDM4ERAB9APLA2G2D
SCHEMBL3885797 0.81 ALDH1A1 (0.40) ALDH1A1KDM4ELPAR2LPAR3NPC1
SCHEMBL6545094 0.77 MAPT (0.34) ALDH1A1KDM4ENPC1POLBRAB9A
SCHEMBL778515 0.76 TSHR (0.47) ALDH1A1KDM4ELPAR2LPAR3PTK2B
SCHEMBL28334824 0.73 THRA (0.41) ALDH1A1TSHRPLA2G2D
SCHEMBL6546173 0.73 GABRA1 (0.38) ALDH1A1KDM4ENPC1POLBPTK2B
SCHEMBL28332945 0.73 ALDH1A1 (0.41) ALDH1A1KDM4ETSHRALOX15MAPT
SCHEMBL28332722 0.71 THRA (0.48) PLA2G2D
SCHEMBL7770815 0.68 CYP4F2 (0.41) ALDH1A1KDM4ETSHRMAPT

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 ALDH1A1 1152/4885KDM4E 1569/4885LPAR2 2126/4885

“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.