SCHEMBL20173211

SCHEMBL20173211

C[C@@H](c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1cc2ccccc2c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTPN1 P18031 2/20 0.38
TRPM4 Q8TD43 1/20 0.32
PGR P06401 1/20 0.31
TRPV4 Q9HBA0 1/20 0.31
HSD17B10 Q99714 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HIF1A Q16665 1/20 0.31
CYP1B1 Q16678 1/20 0.31
GPR3 P46089 1/20 0.31
AKR1B1 P15121 1/20 0.31
MAPT P10636 2/20 0.31
CASP1 P29466 2/20 0.31
CASP7 P55210 2/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PTGS2 P35354 1/20 0.30

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
SCHEMBL20173213 0.82 KDM4E (0.46) ATMKDM4EL3MBTL1PTPN1ALDH1A1
SCHEMBL13141886 0.81 KDM4E (0.59) ATMKDM4EL3MBTL1PTPN1PGR
SCHEMBL12635093 0.81 KDM4E (0.59) ATMKDM4EL3MBTL1PTPN1PGR
SCHEMBL20173212 0.78 KDM4E (0.61) ATMKDM4EL3MBTL1PTPN1PGR
SCHEMBL13141922 0.77 L3MBTL1 (0.53) ATMKDM4EL3MBTL1PTPN1PGR
SCHEMBL13141918 0.77 L3MBTL1 (0.53) ATMKDM4EL3MBTL1PTPN1PGR
SCHEMBL13141916 0.77 L3MBTL1 (0.53) ATMKDM4EL3MBTL1PTPN1PGR
SCHEMBL13141889 0.77 L3MBTL1 (0.53) ATMKDM4EL3MBTL1PTPN1PGR
SCHEMBL1102414 0.74 KDM4E (0.59) ATMKDM4EL3MBTL1PTPN1TRPV4
SCHEMBL21239356 0.73 L3MBTL1 (0.43) ATMKDM4EL3MBTL1PTPN1ALDH1A1

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-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 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-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME CRY1, CRY2, OR10J3 ATM 2781/4885KDM4E 1258/4885L3MBTL1 349/4885

“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.