SCHEMBL19867568

SCHEMBL19867568

CCOc1ccc(C(OC)c2ccccc2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.47
IDO1 P14902 2/20 0.46
TDO2 P48775 2/20 0.46
IDO2 Q6ZQW0 2/20 0.46
NQO1 P15559 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LTA4H P09960 1/20 0.43
RELA Q04206 1/20 0.40
CNR2 P34972 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 3/20 0.38
CASP1 P29466 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NSD2 O96028 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 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
SCHEMBL28448029 0.80 ALDH1A1 (0.43) L3MBTL1NQO1MEN1KMT2ATDP1
SCHEMBL19867567 0.79 LMNA (0.50) L3MBTL1NQO1MEN1KMT2ALTA4H
SCHEMBL19867462 0.76 L3MBTL1 (0.44) L3MBTL1NQO1MEN1KMT2ALTA4H
SCHEMBL9771546 0.76 IDO1 (0.50) L3MBTL1IDO1TDO2IDO2KMT2A
Phenetole SCHEMBL27972104 0.72 LTA4H (0.65) L3MBTL1NQO1MEN1KMT2ALTA4H
SCHEMBL8437304 0.71 NQO1 (0.52) L3MBTL1IDO1TDO2NQO1MEN1
SCHEMBL29118762 0.70 LTA4H (0.53) L3MBTL1NQO1MEN1KMT2ALTA4H
SCHEMBL27536289 0.70 IDO1 (0.53) L3MBTL1IDO1TDO2TDP1MAPT
Benzene SCHEMBL28529548 0.70 NQO1 (0.61) L3MBTL1NQO1MEN1KMT2ALTA4H
SCHEMBL9008835 0.70 NQO1 (0.61) L3MBTL1NQO1LTA4HRELACNR2

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-20210323939-A1 NOVEL PROCESSES FOR PREPARATION OF DAPAGLIFLOZIN OR ITS SOLVATES OR CO-CRYSTALS THEREOF LAURUS LABS LIMITED (IN) 2021-10-21 US disclosed
WO-2018029611-A1 NOVEL PROCESSES FOR PREPARATION OF DAPAGLIFLOZIN OR ITS SOLVATES OR CO-CRYSTALS THEREOF LAURUS LABS LIMITED (IN) 2018-02-15 WO 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-20210323939-A1 NOVEL PROCESSES FOR PREPARATION OF DAPAGLIFLOZIN OR ITS SOLVATES OR CO-CRYSTALS THEREOF SLC5A1, SLC5A2, DPP4 L3MBTL1 4731/4885IDO1 2999/4885TDO2 1229/4885

“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.