SCHEMBL19929637

SCHEMBL19929637

COC(=O)c1cccc(-c2cccc(COC=O)c2Cl)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
SLC6A3 Q01959 3/20 0.43
SLC6A4 P31645 2/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 2/20 0.38
MAPK10 P53779 2/20 0.38
PDK2 Q15119 2/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
PDK1 Q15118 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
PTPRC P08575 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
HTT P42858 2/20 0.37
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
PTK2B Q14289 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
SCHEMBL19923181 0.81 SLC6A3 (0.59) ALDH1A1SLC6A3SLC6A4LMNAKDM4E
SCHEMBL5536756 0.80 ALDH1A1 (0.55) ALDH1A1LMNAKDM4EKMT2AMAPK10
SCHEMBL19929648 0.79 MRGPRX4 (0.45) ALDH1A1SLC6A3SLC6A4LMNAKDM4E
SCHEMBL1963803 0.74 LMNA (0.51) ALDH1A1SLC6A3SLC6A4LMNAKDM4E
SCHEMBL17249874 0.73 MAPK10 (0.41) ALDH1A1LMNAKDM4EKMT2AMAPK10
SCHEMBL28409134 0.73 TSHR (0.61) ALDH1A1SLC6A3SLC6A4LMNAKDM4E
SCHEMBL16955180 0.72 LMNA (0.49) ALDH1A1SLC6A3SLC6A4LMNAKDM4E
SCHEMBL5538272 0.72 ALDH1A1 (0.60) ALDH1A1LMNAKDM4EKMT2AHTT
SCHEMBL29109366 0.71 SLC6A3 (0.64) ALDH1A1SLC6A3SLC6A4LMNAKDM4E
SCHEMBL2192561 0.71 ALDH1A1 (0.47) ALDH1A1SLC6A3SLC6A4LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180065917-A1 IMMUNE CHECKPOINT INHIBITORS, COMPOSITIONS AND METHODS THEREOF POLARIS PHARMACEUTICALS, INC. (JP) 2018-03-08 US 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-20180065917-A1 IMMUNE CHECKPOINT INHIBITORS, COMPOSITIONS AND METHODS THEREOF CD274, PDCD1, PDCD1LG2 ALDH1A1 817/4885SLC6A3 3277/4885SLC6A4 3872/4885

“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.