SCHEMBL477593

SCHEMBL477593

COCc1ccc(C(F)(F)F)cc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
USP2 O75604 1/20 0.50
CYP2C19 P33261 1/20 0.50
MRGPRX4 Q96LA9 4/20 0.48
LIPC P11150 2/20 0.46
LIPG Q9Y5X9 2/20 0.46
RXRA P19793 6/20 0.45
NR1H2 P55055 6/20 0.45
NR1H3 Q13133 4/20 0.45
CFTR P13569 1/20 0.44
CES2 O00748 1/20 0.44
SORT1 Q99523 3/20 0.43
PLK1 P53350 1/20 0.43

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
SCHEMBL24908522 0.83 ALDH1A1 (0.54) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL8477461 0.80 ALDH1A1 (0.54) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL8477458 0.80 ALDH1A1 (0.54) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL6756787 0.79 KEAP1 (0.49) KDM4EALDH1A1MRGPRX4CES2
SCHEMBL6993058 0.79 ALDH1A1 (0.57) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL2337724 0.79 ALDH1A1 (0.53) KDM4EALDH1A1HPGDHSD17B10USP2
Ammonia Solution, Strong SCHEMBL7105697 0.78 ALDH1A1 (0.49) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL3930119 0.78 CYP3A4 (0.54) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL27856831 0.77 SRD5A2 (0.53) MRGPRX4RXRANR1H2NR1H3
SCHEMBL27541096 0.77 LMNA (0.50) KDM4EALDH1A1MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2851366-A1 Compounds as cannabinoid receptor ligands Abbvie Inc. (US) 2015-03-25 EP disclosed
US-8492371-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2013-07-23 US disclosed
CN-102448957-A Compounds as cannabinoid receptor ligands ABBOTT LAB 2012-05-09 CN disclosed
EP-2411382-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2012-02-01 EP disclosed
US-20100249129-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-09-30 US disclosed
WO-2010111572-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-20100249129-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 KDM4E 1939/4885ALDH1A1 660/4885HPGD 1294/4885

“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.