SCHEMBL22490852

SCHEMBL22490852

COc1c(C(=O)O)cc(Cl)c(OCc2ccccc2)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 3/20 0.48
HPGD P15428 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
PDE4D Q08499 1/20 0.47
BAK1 Q16611 1/20 0.46
MRGPRX4 Q96LA9 3/20 0.46
PTGER1 P34995 2/20 0.45
CHRM4 P08173 1/20 0.45
CHRM3 P20309 1/20 0.45
CLCN2 P51788 1/20 0.45
CTSV O60911 2/20 0.44
CTSL P07711 2/20 0.44
GLRA1 P23415 1/20 0.44

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
SCHEMBL14021700 0.85 MCL1 (0.52) MCL1KDM4ELMNAHPGDBAK1
SCHEMBL10519413 0.83 PTGER1 (0.49) MCL1KDM4ELMNAHPGDMEN1
SCHEMBL29205045 0.80 MRGPRX4 (0.56) KDM4ELMNAMRGPRX4PTGER1
SCHEMBL21295195 0.79 CLCN2 (0.53) MCL1KDM4ELMNAHPGDMEN1
SCHEMBL6762318 0.78 CTSV (0.52) LMNAHPGDMRGPRX4PTGER1CTSV
SCHEMBL9356128 0.77 RAB9A (0.52) KDM4ELMNAMEN1ALDH1A1HTT
SCHEMBL21327232 0.77 MRGPRX4 (0.61) MCL1KDM4EHPGDALDH1A1MRGPRX4
SCHEMBL7797930 0.77 MRGPRX4 (0.61) MCL1KDM4EHPGDALDH1A1MRGPRX4
SCHEMBL22490898 0.76 PDE4D (0.45) MCL1KDM4ELMNAHPGDALDH1A1
SCHEMBL10323084 0.76 KDM4E (0.64) KDM4EHPGDMEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210170033-A1 NOVEL CONJUGATES OF A PHARMACEUTICAL AGENT AND A MOIETY CAPABLE OF BINDING TO A GLUCOSE SENSING PROTEIN SANOFI (FR) 2021-06-10 US disclosed
EP-3717463-A1 NOVEL CONJUGATES OF A PHARMACEUTICAL AGENT AND A MOIETY CAPABLE OF BINDING TO A GLUCOSE SENSING PROTEIN Sanofi (FR) 2020-10-07 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-20210170033-A1 NOVEL CONJUGATES OF A PHARMACEUTICAL AGENT AND A MOIETY CAPABLE OF BINDING TO A GLUCOSE SENSING PROTEIN GPR119, SLC2A8, SLC2A4 MCL1 4000/4885KDM4E 4293/4885LMNA 4539/4885

“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.