SCHEMBL475161

SCHEMBL475161

CC(C)(O)COCc1cc(C(F)(F)F)ccc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
USP2 O75604 1/20 0.48
CYP2C19 P33261 1/20 0.48
MRGPRX4 Q96LA9 9/20 0.44
SRD5A2 P31213 1/20 0.40
CFTR P13569 1/20 0.40
RXRA P19793 2/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
SORT1 Q99523 2/20 0.39
RXRB P28702 1/20 0.39
CES2 O00748 1/20 0.39
LIPC P11150 1/20 0.38
LIPG Q9Y5X9 1/20 0.38

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
SCHEMBL475163 0.87 CFTR (0.53) ALDH1A1KDM4EHPGDHSD17B10USP2
SCHEMBL475352 0.79 IDO1 (0.38) SRD5A2
SCHEMBL421582 0.78 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDHSD17B10USP2
SCHEMBL282980 0.75 CNR2 (0.50) ALDH1A1KDM4EHPGDHSD17B10USP2
SCHEMBL13888691 0.75 SRD5A2 (0.56) ALDH1A1KDM4EHPGDHSD17B10USP2
SCHEMBL9995051 0.74 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDHSD17B10USP2
SCHEMBL9116674 0.73 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDHSD17B10USP2
SCHEMBL5833823 0.71 KDM4E (0.59) ALDH1A1KDM4EHPGDHSD17B10USP2
SCHEMBL27324029 0.71 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDHSD17B10USP2
SCHEMBL477593 0.70 KDM4E (0.50) ALDH1A1KDM4EHPGDHSD17B10USP2

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 ALDH1A1 825/4885KDM4E 2286/4885HPGD 1548/4885

“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.