SCHEMBL21392417

SCHEMBL21392417

CCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc4c5ccc(-c6cccc7c6nc(C)n7-c6ccc(-c7c8ccccc8c(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)c8ccccc78)cc6)cc5c5ccccc5c4c3)c3ccccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
PDE10A Q9Y233 5/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
PTGER4 P35408 1/20 0.33
PIK3R2 O00459 1/20 0.33
CYP1A2 P05177 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
ALOX15 P16050 1/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL21392568 0.84 MAPK1 (0.41) MAPK1HTTPDE10AALDH1A1KDM4E
SCHEMBL24673733 0.84 KDM4E (0.43) MAPK1HTTPDE10AALDH1A1KDM4E
SCHEMBL24674456 0.84 KDM4E (0.43) MAPK1HTTPDE10AALDH1A1KDM4E
SCHEMBL24674451 0.84 KDM4E (0.43) MAPK1HTTPDE10AALDH1A1KDM4E
SCHEMBL24674436 0.84 KDM4E (0.43) MAPK1HTTPDE10AALDH1A1KDM4E
SCHEMBL24673731 0.84 ALDH1A1 (0.43) MAPK1HTTPDE10AALDH1A1KDM4E
SCHEMBL24674239 0.84 KDM4E (0.43) MAPK1HTTPDE10AALDH1A1KDM4E
SCHEMBL21392418 0.84 ALDH1A1 (0.46) MAPK1HTTPDE10AALDH1A1KDM4E
SCHEMBL26343681 0.84 ALDH1A1 (0.46) MAPK1HTTPDE10AALDH1A1KDM4E
SCHEMBL24674371 0.84 KDM4E (0.42) MAPK1HTTPDE10AALDH1A1KDM4E

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-11877509-B2 Organic light-emitting element LG CHEM, LTD. 2024-01-16 US disclosed
US-20190296238-A1 Organic Light-emitting Element LG CHEM, LTD. (KR) 2019-09-26 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-20190296238-A1 Organic Light-emitting Element CRY1, CRY2, NR2E3 MAPK1 4606/4885HTT 2428/4885PDE10A 4353/4885
US-11877509-B2 Organic light-emitting element CRY1, CRY2, NR2E3 MAPK1 4606/4885HTT 2428/4885PDE10A 4353/4885

“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.