SCHEMBL475163

SCHEMBL475163

COC(=O)c1ccc(C(F)(F)F)cc1COCC(C)(C)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.53
MRGPRX4 Q96LA9 2/20 0.44
KDM4E B2RXH2 4/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 2/20 0.37
USP2 O75604 1/20 0.37
CYP2C19 P33261 1/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CES2 O00748 2/20 0.37
PDK2 Q15119 1/20 0.37

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
SCHEMBL475161 0.87 ALDH1A1 (0.48) CFTRMRGPRX4KDM4EALDH1A1HPGD
SCHEMBL25085889 0.81 CFTR (0.65) CFTRMRGPRX4KDM4EALDH1A1HPGD
SCHEMBL5841660 0.78 CFTR (0.61) CFTRMRGPRX4KDM4EHDAC3HDAC1
SCHEMBL5833870 0.78 CFTR (0.61) CFTRMRGPRX4KDM4EHDAC3HDAC1
SCHEMBL13888692 0.77 CFTR (0.53) CFTRMRGPRX4ALDH1A1HSD17B10RXRA
SCHEMBL475352 0.77 IDO1 (0.38) HDAC3HDAC1HDAC2HDAC6MEN1
SCHEMBL284392 0.76 CFTR (0.52) CFTRMRGPRX4KDM4EHDAC3HDAC6
SCHEMBL8488820 0.76 CFTR (0.43) CFTRMRGPRX4ALDH1A1CYP2C19CA12
SCHEMBL27454008 0.76 CFTR (0.58) CFTRMRGPRX4KDM4EHDAC3HDAC1
SCHEMBL5833100 0.76 CFTR (0.58) CFTRMRGPRX4KDM4EHDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411370-B1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBVIE INC (US) 2015-04-22 EP disclosed
US-8288428-B2 Compounds as cannabinoid receptor ligands ABBOTT LABORATORIES (US) 2012-10-16 US disclosed
EP-2411370-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2012-02-01 EP disclosed
US-20100249087-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-09-30 US disclosed
WO-2010111573-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-09-30 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-20100249087-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 CFTR 1251/4885MRGPRX4 76/4885KDM4E 2286/4885

“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.