SCHEMBL1386835

SCHEMBL1386835

[O]C(=O)c1cccc(F)c1F

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 6/20 0.71
CES1 P23141 6/20 0.71
BCHE P06276 1/20 0.71
HPGD P15428 2/20 0.53
ALB P02768 1/20 0.48
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 1/20 0.46
KAT6A Q92794 2/20 0.45
GAA P10253 1/20 0.42
ATM Q13315 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
PTPN1 P18031 1/20 0.38
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38
DHODH Q02127 1/20 0.38
LMNA P02545 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
SCHEMBL3184940 0.83 CES2 (1.00) CES2CES1BCHEHPGDALB
SCHEMBL3440833 0.83 CES2 (0.74) CES2CES1BCHEHPGDALB
SCHEMBL31537534 0.81 CES2 (0.71) CES2CES1BCHEHPGDALB
SCHEMBL365453 0.81 CES2 (0.71) CES2CES1BCHEHPGDALB
SCHEMBL6441124 0.81 CES2 (0.71) CES2CES1BCHEHPGDALB
SCHEMBL2164455 0.80 CES2 (0.68) CES2CES1BCHEHPGDALB
SCHEMBL203112 0.79 CES2 (0.68) CES2CES1BCHEHPGDALB
Fluoride SCHEMBL6441128 0.79 CES2 (0.68) CES2CES1BCHEHPGDALB
SCHEMBL2090285 0.79 CES2 (0.68) CES2CES1BCHEHPGDALB
SCHEMBL14548429 0.79 CES2 (0.68) CES2CES1BCHEHPGDALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4795965-B2 2011-10-19 JP claimed
EP-1685102-A4 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD (KR) 2008-08-20 EP claimed
US-20070129346-A1 Melanocortin receptor agonists LG LIFE SCIENCES LTD. (KR) 2007-06-07 US claimed
JP-2007510717-A 2007-04-26 JP claimed
EP-1685102-A1 MELANOCORTIN RECEPTOR AGONISTS LG Life Sciences Ltd. (KR) 2006-08-02 EP claimed
WO-2005047251-A1 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD. (KR) 2005-05-26 WO claimed
US-7989634-B2 Melanocortin receptor agonists LG LIFE SCIENCES LTD. (KR) 2011-08-02 US disclosed
US-7629494-B2 Process for producing cyclopropylphenol derivative MITSUI CHEMICALS AGRO, INC. (JP) 2009-12-08 US disclosed
US-20090054681-A1 Production Process of cyclopropylphenol derivatives SANKYO AGRO COMPANY, LIMITED (JP) 2009-02-26 US disclosed
EP-1685102-A4 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD (KR) 2008-08-20 EP disclosed
EP-1880987-A1 PROCESS FOR PRODUCING CYCLOPROPYLPHENOL DERIVATIVE Sankyo Agro Company, Limited (JP) 2008-01-23 EP disclosed
US-20070129346-A1 Melanocortin receptor agonists LG LIFE SCIENCES LTD. (KR) 2007-06-07 US disclosed
EP-1685102-A1 MELANOCORTIN RECEPTOR AGONISTS LG Life Sciences Ltd. (KR) 2006-08-02 EP disclosed
WO-2005047251-A1 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD. (KR) 2005-05-26 WO disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 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 (2 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-20090054681-A1 Production Process of cyclopropylphenol derivatives CBR3, CYP4X1, CYP4A11 CES2 993/4885CES1 2320/4885BCHE 4242/4885
US-20070129346-A1 Melanocortin receptor agonists MC1R, MC3R, MC5R CES2 4658/4885CES1 3461/4885BCHE 4547/4885

“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.