SCHEMBL21716909

SCHEMBL21716909

c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-n4c5ccc(-n6c7ccccc7c7c8ccccc8ccc76)cc5c5cc6ccccc6cc54)nc4ccccc34)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
HPGD P15428 4/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.31
ESR1 P03372 2/20 0.30
ESR2 Q92731 2/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL21716547 0.96 ALDH1A1 (0.35) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL21716908 0.95 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL21716904 0.95 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL23471944 0.92 KDM4E (0.40) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL21717326 0.92 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL21716802 0.92 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL21717263 0.91 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL23471907 0.91 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL23471880 0.91 KDM4E (0.39) ALDH1A1HPGDKDM4EMAPTNPSR1
SCHEMBL21716905 0.91 HPGD (0.34) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11192884-B2 Heterocyclic compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2021-12-07 US disclosed
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2020-02-13 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 (2 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-11192884-B2 Heterocyclic compound and organic light-emitting device comprising same CYP1A1, CYP1B1, CRY1 ALDH1A1 33/4885HPGD 652/4885KDM4E 1813/4885
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1A1, CYP1B1, CRY1 ALDH1A1 33/4885HPGD 652/4885KDM4E 1813/4885

“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.