SCHEMBL20173213

SCHEMBL20173213

C[C@@H](c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ADRA2A P08913 4/20 0.41
ADRA2B P18089 4/20 0.41
ADRA2C P18825 4/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1B P35368 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTPN1 P18031 2/20 0.39
SLC6A4 P31645 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL12635093 0.84 KDM4E (0.59) KDM4EATML3MBTL1ALDH1A1CYP1A2
SCHEMBL13141886 0.84 KDM4E (0.59) KDM4EATML3MBTL1ALDH1A1CYP1A2
SCHEMBL20173211 0.82 ATM (0.43) KDM4EATML3MBTL1ALDH1A1PTPN1
SCHEMBL20173212 0.80 KDM4E (0.61) KDM4EATML3MBTL1ALDH1A1CYP1A2
SCHEMBL13141922 0.79 L3MBTL1 (0.53) KDM4EATML3MBTL1ALDH1A1CYP1A2
SCHEMBL13141889 0.79 L3MBTL1 (0.53) KDM4EATML3MBTL1ALDH1A1CYP1A2
SCHEMBL13141918 0.79 L3MBTL1 (0.53) KDM4EATML3MBTL1ALDH1A1CYP1A2
SCHEMBL13141916 0.79 L3MBTL1 (0.53) KDM4EATML3MBTL1ALDH1A1CYP1A2
SCHEMBL15130502 0.78 KDM4E (0.46) KDM4EATML3MBTL1ALDH1A1CYP1A2
SCHEMBL2992858 0.78 SLC6A4 (0.53) ADRA2AADRA2BADRA2CADRA1AADRA1D

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 KDM4E 1258/4885ATM 2781/4885L3MBTL1 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.