SCHEMBL4446378

SCHEMBL4446378

[O]C(=O)c1cccc(F)c1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.45
CES1 P23141 4/20 0.45
BCHE P06276 1/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
ALB P02768 1/20 0.42
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
P2RX1 P51575 1/20 0.40
P2RX7 Q99572 1/20 0.40
GAA P10253 2/20 0.37
CMA1 P23946 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 2/20 0.36
MAPK1 P28482 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL1259459 0.84 ALB (0.57) CES2CES1BCHESLC6A2SLC6A4
SCHEMBL31388520 0.84 ALB (0.57) CES2CES1BCHESLC6A2SLC6A4
SCHEMBL2584583 0.82 PARP1 (0.44) CES2CES1BCHESLC6A2SLC6A4
SCHEMBL937001 0.82 ALDH1A1 (0.59) CES2CES1BCHESLC6A2SLC6A4
SCHEMBL29789811 0.82 ALDH1A1 (0.59) CES2CES1BCHESLC6A2SLC6A4
SCHEMBL7399514 0.80 LMNA (0.47) ALDH1A1GAACNR2MEN1KMT2A
SCHEMBL2324567 0.78 SOS1 (0.47) SLC6A2SLC6A4ALDH1A1KMT2AHPGD
SCHEMBL28107151 0.78 PDK2 (0.44) CES2CES1BCHESLC6A2SLC6A4
SCHEMBL1541726 0.75 TRPA1 (0.40) CES2CES1BCHESLC6A2SLC6A4
SCHEMBL5811323 0.74 MEN1 (0.60) ALDH1A1P2RX1P2RX7MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1880987-A1 PROCESS FOR PRODUCING CYCLOPROPYLPHENOL DERIVATIVE Sankyo Agro Company, Limited (JP) 2008-01-23 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 (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-20090054681-A1 Production Process of cyclopropylphenol derivatives CBR3, CYP4X1, CYP4A11 CES2 993/4885CES1 2320/4885BCHE 4242/4885

“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.