SCHEMBL3596927

SCHEMBL3596927

CCOC(=O)CCc1ccc(C2COc3c(C)c(C)c(NC(=O)CC(C)(C)C)c(C)c32)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
CYP4Z1 Q86W10 3/20 0.37
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PKM P14618 1/20 0.34
EPHX2 P34913 1/20 0.33
CYP4F11 Q9HBI6 1/20 0.32
CYP4F12 Q9HCS2 1/20 0.32
MITF O75030 1/20 0.32
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 1/20 0.32

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
SCHEMBL3598208 0.90 HPGD (0.34) CYP4F2CYP4A11CYP4Z1HPGDALDH1A1
SCHEMBL3600816 0.87 HPGD (0.36) HPGDNPC1RAB9AALDH1A1KDM4E
SCHEMBL3604268 0.85 HPGD (0.40) CYP4A11HPGDNPC1RAB9AKCNQ3
SCHEMBL14856317 0.84 CA12 (0.40) HPGDRAB9AALDH1A1KDM4E
SCHEMBL3598816 0.84 KDM4E (0.33) HPGDRAB9AALDH1A1KDM4E
SCHEMBL3598586 0.84 L3MBTL1 (0.38) HPGDRAB9AALDH1A1KDM4EKCNQ3
SCHEMBL3603636 0.82 KCNQ2 (0.32) HPGDNPC1RAB9AKCNQ3KCNQ2
SCHEMBL3609482 0.81 KCNQ2 (0.34) HPGDRAB9AALDH1A1KDM4EKCNQ3
SCHEMBL4817098 0.81 KDM4E (0.33) HPGDRAB9AALDH1A1KDM4EKCNQ3
SCHEMBL3595273 0.80 L3MBTL1 (0.35) HPGDRAB9AALDH1A1KDM4EKCNQ3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1637527-B1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL (JP) 2013-04-17 EP disclosed
US-20100240743-A1 CANNABINOID RECEPTOR MODULATOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-23 US disclosed
US-7507841-B2 Carbamoylamino-substituted 2,3-dihydro-benzofurans, indoles and benzothiophenes, e.g., (+)-N-((3R)-3-(4-isopropylphenyl)-4,6,7-trimethyl-2,3-dihydro-1-benzofuran-5-yl)-3,3-dimethylbutanamide; cerebrovascular disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-24 US disclosed
US-20090023800-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-01-22 US disclosed
US-7465815-B2 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-16 US disclosed
US-20080021087-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-01-24 US disclosed
US-20070099990-A1 Cannabinoid receptor modulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 US disclosed
EP-1637527-A1 CANNABINOID RECEPTOR MODULATOR Takeda Pharmaceutical Company Limited (JP) 2006-03-22 EP 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 (4 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-20100240743-A1 CANNABINOID RECEPTOR MODULATOR CNR1, CNR2, GPR18 CYP4F2 1365/4885CYP4A11 185/4885CYP4Z1 1506/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 CYP4F2 1365/4885CYP4A11 185/4885CYP4Z1 1506/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 CYP4F2 1365/4885CYP4A11 185/4885CYP4Z1 1506/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 CYP4F2 1365/4885CYP4A11 185/4885CYP4Z1 1506/4885

“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.