SCHEMBL8771004

SCHEMBL8771004

CCOC(=O)CC(O)c1ccc(F)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRB3 P13945 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
F2 P00734 1/20 0.38
F10 P00742 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
SCHEMBL8770875 0.84 CES2 (0.45) CES2CES1KDM4EALDH1A1HTT
SCHEMBL30955364 0.84 CES2 (0.45) CES2CES1KDM4EALDH1A1HTT
SCHEMBL20967754 0.84 CES2 (0.45) CES2CES1KDM4EALDH1A1HTT
SCHEMBL21969538 0.84 CES2 (0.40) CES2CES1KDM4EALDH1A1HTT
SCHEMBL20028731 0.83 MAPT (0.47) KDM4EALDH1A1HTTMAPTMEN1
SCHEMBL13419467 0.81 ALDH1A1 (0.39) CES2CES1KDM4EALDH1A1HTT
SCHEMBL8770874 0.81 APP (0.42) CES2CES1ADRB1ADRA2AADRB3
SCHEMBL8770943 0.81 MAPT (0.45) CES2CES1MAPTMEN1KMT2A
SCHEMBL8771122 0.80 SLC6A3 (0.49) KDM4EALDH1A1HTTMAPTLMNA
SCHEMBL20853790 0.80 FFAR1 (0.40) KDM4EALDH1A1HTTLMNATSHR

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
CN-112218851-A Modulators of integrated stress pathways 卡里科生命科学有限责任公司 2021-01-12 CN disclosed
US-20200347033-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC 2020-11-05 US disclosed
EP-3704091-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2020-09-09 EP disclosed
EP-0451668-B1 Process for the production of optically active alkyl 3-aryl-3-hydroxypropionates CHISSO CORP (JP) 1997-08-13 EP disclosed
US-5202457-A Enzyme catalyzed transesterification, resolution of optical active alkyl 3-aryl-3-hydroxypropionate CHISSO CORPORATION (JP) 1993-04-13 US disclosed
EP-0451668-A2 Optically active alkyl 3-aryl-3-hydroxypropionates and a method for producing thereof CHISSO CORPORATION (JP) 1991-10-16 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-20200347033-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, IRF3 CES2 3118/4885CES1 2401/4885KDM4E 4689/4885

“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.