SCHEMBL19978096

SCHEMBL19978096

COc1ccc2c(c1)c1c(n2C)-c2ccccc2C1(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MEN1 O00255 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
NTRK1 P04629 2/20 0.43
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD5 P21918 1/20 0.41
DRD3 P35462 1/20 0.41
PGR P06401 1/20 0.40
BCHE P06276 2/20 0.40

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
SCHEMBL19981098 0.84 KDM4E (0.39) ALDH1A1MAPTKDM4EHPGDL3MBTL1
SCHEMBL19675658 0.82 MEN1 (0.43) ALDH1A1MAPTKDM4EMEN1HTT
SCHEMBL19978119 0.82 GSK3B (0.48) MAPTMEN1HTTKMT2AACHE
SCHEMBL19978115 0.81 GRIK2 (0.39) ALDH1A1MAPTKDM4EHPGDL3MBTL1
SCHEMBL19978106 0.81 GRIK2 (0.40) ALDH1A1MAPTKDM4EHPGDL3MBTL1
SCHEMBL17694816 0.80 GPR3 (0.44) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL19978120 0.79 PGR (0.37) ALDH1A1MAPTKDM4EL3MBTL1NTRK1
SCHEMBL903731 0.73 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EHPGDL3MBTL1
SCHEMBL1985565 0.73 MAPT (0.43) ALDH1A1MAPTKDM4EHPGDL3MBTL1
SCHEMBL25005979 0.71 MAPT (0.45) ALDH1A1MAPTKDM4EHPGDL3MBTL1

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-20180079841-A1 METALLOCENE SUPPORTED CATALYST AND METHOD FOR PREPARING POLYOLEFIN USING THE SAME LG CHEM, LTD. (KR) 2018-03-22 US disclosed
US-20180079841-A1 METALLOCENE SUPPORTED CATALYST AND METHOD FOR PREPARING POLYOLEFIN USING THE SAME LG CHEM, LTD. (KR) 2018-03-22 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-20180079841-A1 METALLOCENE SUPPORTED CATALYST AND METHOD FOR PREPARING POLYOLEFIN USING THE SAME PCBP1, SOD1, PCLAF ALDH1A1 2034/4885MAPT 3682/4885KDM4E 2644/4885

“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.