SCHEMBL3608367

SCHEMBL3608367

CCOC(=O)C(C)(C)Oc1cccc(C)c1C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 9/20 0.52
PPARA Q07869 3/20 0.51
CYP3A4 P08684 2/20 0.51
ABCB11 O95342 1/20 0.51
CYP1A2 P05177 1/20 0.51
TSHR P16473 1/20 0.51
HTR2A P28223 1/20 0.51
PMP22 Q01453 1/20 0.51
PPARG P37231 1/20 0.47
PIN1 Q13526 1/20 0.43
GAA P10253 1/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2D6 P10635 1/20 0.40
NLRP3 Q96P20 1/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL4111678 0.87 FBP1 (0.58) FBP1PPARACYP3A4ABCB11CYP1A2
SCHEMBL25932763 0.82 PPARA (0.55) FBP1PPARACYP3A4ABCB11CYP1A2
SCHEMBL659739 0.80 ALDH1A1 (0.58) PPARACYP3A4CYP1A2TSHRPPARG
SCHEMBL12670823 0.79 FBP1 (0.56) FBP1PPARACYP3A4ABCB11CYP1A2
SCHEMBL12804549 0.79 PPARA (0.56) FBP1PPARACYP3A4ABCB11CYP1A2
SCHEMBL198569 0.78 PPARA (0.51) FBP1PPARACYP3A4ABCB11CYP1A2
SCHEMBL3485006 0.78 FBP1 (0.55) FBP1PPARACYP3A4ABCB11CYP1A2
SCHEMBL14092161 0.78 FBP1 (0.55) FBP1PPARACYP3A4ABCB11CYP1A2
SCHEMBL4423002 0.78 PPARA (0.59) FBP1PPARACYP3A4ABCB11CYP1A2
SCHEMBL4681650 0.77 FBP1 (0.54) FBP1PPARACYP3A4ABCB11CYP1A2

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-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-7655688-B2 Treating nuclear hormone receptor-associated conditions such as cancer and immune disorders; (3a alpha ,4 alpha ,7 alpha ,7a alpha )-2-(3-Chloro-4-hydroxyphenyl)hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 US disclosed
US-7655688-B2 Treating nuclear hormone receptor-associated conditions such as cancer and immune disorders; (3a alpha ,4 alpha ,7 alpha ,7a alpha )-2-(3-Chloro-4-hydroxyphenyl)hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 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 FBP1 3245/4885PPARA 490/4885CYP3A4 375/4885
US-20080021087-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 FBP1 3245/4885PPARA 490/4885CYP3A4 375/4885
US-20090023800-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 FBP1 3245/4885PPARA 490/4885CYP3A4 375/4885
US-20070099990-A1 Cannabinoid receptor modulator CNR1, CNR2, GPR18 FBP1 3245/4885PPARA 490/4885CYP3A4 375/4885

“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.