SCHEMBL3589875

SCHEMBL3589875

COc1cc(C(C)C)ccc1C1COc2c(C)c(C)cc(C)c21

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
HDAC4 P56524 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
ALDH1A1 P00352 3/20 0.33
ODC1 P11926 1/20 0.33
HPGD P15428 1/20 0.33
BCHE P06276 3/20 0.32
ACHE P22303 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
CYP19A1 P11511 1/20 0.32
SLC5A1 P13866 1/20 0.31
SLC5A2 P31639 1/20 0.31

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
SCHEMBL3598503 0.84 HDAC4 (0.33) MAPTHDAC4HDAC8ALDH1A1ODC1
SCHEMBL3602978 0.84 MAPT (0.36) MAPTHDAC4HDAC8ALDH1A1ODC1
SCHEMBL3600236 0.80 MAPT (0.38) MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL3599674 0.76 LTB4R (0.37) MAPTHPGDBCHEACHEMEN1
SCHEMBL3601050 0.72 CYP19A1 (0.49) MAPTCYP19A1
SCHEMBL27016299 0.69 HDAC4 (0.46) HDAC4HDAC8ALDH1A1MEN1KMT2A
SCHEMBL3596213 0.68 CYP19A1 (0.40) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL3604809 0.68 CYP19A1 (0.42) ALDH1A1CYP19A1
SCHEMBL3596242 0.68 MAPT (0.36) MAPTHPGDSMN1; SMN2CYP19A1
SCHEMBL3601448 0.66 CYP19A1 (0.34) CYP19A1

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 MAPT 4392/4885HDAC4 1101/4885HDAC8 1090/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MAPT 4392/4885HDAC4 1101/4885HDAC8 1090/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MAPT 4392/4885HDAC4 1101/4885HDAC8 1090/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 MAPT 4392/4885HDAC4 1101/4885HDAC8 1090/4885

“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.