SCHEMBL3919213

SCHEMBL3919213

COc1ccc(OC)c(-c2cc(C(=O)O)c(C)n2CC2CCCCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.48
NOTUM Q6P988 1/20 0.47
CNR2 P34972 2/20 0.43
MPO P05164 1/20 0.43
MAPT P10636 4/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
CNR1 P21554 2/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
CRHBP P24387 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
CRHR2 Q13324 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
ELANE P08246 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PARP15 Q460N3 1/20 0.40

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
SCHEMBL6468967 0.91 POLB (0.51) PLA2G2ANOTUMMAPTALDH1A1HPGD
SCHEMBL3917726 0.91 PLA2G2A (0.50) PLA2G2ACNR2MPOMAPTALDH1A1
SCHEMBL6468566 0.88 PLA2G2A (0.42) PLA2G2ANOTUMCNR2MPOMAPT
SCHEMBL6468555 0.88 PLA2G2A (0.43) PLA2G2ANOTUMCNR2MPOMAPT
SCHEMBL3931017 0.87 ALDH1A1 (0.58) PLA2G2ACNR2MAPTALDH1A1HPGD
SCHEMBL3918365 0.87 ALDH1A1 (0.58) PLA2G2ACNR2MAPTALDH1A1HPGD
SCHEMBL3917698 0.87 ALDH1A1 (0.55) PLA2G2ACNR2MAPTALDH1A1HPGD
SCHEMBL3917712 0.86 ALDH1A1 (0.57) PLA2G2ACNR2MAPTALDH1A1HPGD
SCHEMBL3919700 0.86 POLB (0.54) PLA2G2AMAPTALDH1A1CNR1MEN1
SCHEMBL3919630 0.86 ALDH1A1 (0.45) PLA2G2ACNR2MAPTALDH1A1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583742-B1 CB 1 RECEPTOUR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2009-12-02 EP claimed
US-20070238754-A1 Novel CB 1 receptor inverse agonists MAYWEG ALEXANDER 2007-10-11 US claimed
US-20040167129-A1 Novel CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. 2004-08-26 US claimed
EP-1583742-B1 CB 1 RECEPTOUR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2009-12-02 EP disclosed
US-7579369-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-25 US disclosed
US-7294644-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2007-11-13 US disclosed
US-20070238754-A1 Novel CB 1 receptor inverse agonists MAYWEG ALEXANDER 2007-10-11 US disclosed
EP-1583742-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP disclosed
US-20040167129-A1 Novel CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. 2004-08-26 US disclosed
WO-2004060870-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 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 (2 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-20040167129-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, ARRB1 PLA2G2A 696/4885NOTUM 3125/4885CNR2 2/4885
US-20070238754-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, GPR139 PLA2G2A 679/4885NOTUM 3512/4885CNR2 2/4885

“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.