SCHEMBL21168832

SCHEMBL21168832

c1ccc(-c2nc(-n3c4cc5ccccc5cc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)nc3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 4/20 0.44
LMNA P02545 1/20 0.43
ATM Q13315 2/20 0.43
KMT2A Q03164 2/20 0.38
NUDT1 P36639 3/20 0.38
ADORA2A P29274 2/20 0.38
MAPK1 P28482 2/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTT P42858 1/20 0.37
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
GAA P10253 3/20 0.36
MGAM O43451 2/20 0.36
SI P14410 2/20 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
SCHEMBL17990580 1.00 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL21168831 0.98 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL20048816 0.98 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL17990579 0.96 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL15497601 0.95 KDM4E (0.50) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL17446028 0.94 KDM4E (0.49) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL17990565 0.94 KDM4E (0.49) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL22479834 0.93 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL21717421 0.93 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL18505348 0.93 KDM4E (0.48) ALDH1A1HPGDKDM4EMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210328152-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2021-10-21 US disclosed
US-20200058882-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2020-02-20 US disclosed
US-20190355912-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2019-11-21 US disclosed
US-20190221752-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2019-07-18 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-20190221752-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME EPCAM, OR10J3, L1CAM ALDH1A1 637/4885HPGD 4308/4885KDM4E 763/4885

“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.