SCHEMBL21742819

SCHEMBL21742819

c1ccc(-c2ccc(-c3ccc(Nc4cccc5sc6ccccc6c45)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.46
MEN1 O00255 2/20 0.46
GAA P10253 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
MAPT P10636 1/20 0.46
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
ATM Q13315 2/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
CDC25B P30305 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAP3K8 P41279 3/20 0.41
IDO1 P14902 2/20 0.41

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
SCHEMBL19656562 1.00 AKR1C3 (0.46) AKR1C3MEN1GAAKMT2AKDM4E
SCHEMBL25636210 0.93 MEN1 (0.42) AKR1C3MEN1GAAKMT2AKDM4E
SCHEMBL18457473 0.90 MEN1 (0.57) MEN1GAAKMT2AKDM4EGLA
SCHEMBL24472574 0.90 AKR1C3 (0.47) AKR1C3MEN1GAAKMT2AKDM4E
SCHEMBL28616280 0.90 MAPT (0.46) AKR1C3MEN1GAAKMT2AKDM4E
SCHEMBL17742381 0.88 MAPT (0.40) AKR1C3MEN1GAAKMT2AKDM4E
SCHEMBL19239177 0.88 AKR1C3 (0.48) AKR1C3MEN1GAAKMT2AKDM4E
SCHEMBL26006801 0.88 CDC25B (0.42) AKR1C3MEN1GAAKMT2AKDM4E
SCHEMBL23867568 0.88 AKR1C3 (0.38) AKR1C3MEN1GAAKMT2AKDM4E
SCHEMBL25636232 0.87 ALK (0.43) AKR1C3MEN1GAAKMT2AKDM4E

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-20230354706-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2023-11-02 US disclosed
US-20230354706-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2023-11-02 US disclosed
WO-2022086297-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2022-04-28 WO disclosed
US-20200055822-A1 MATERIALS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-02-20 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-20230354706-A1 ORGANIC LIGHT EMITTING DEVICE CRY2, CRY1, PER2 AKR1C3 1533/4885MEN1 1478/4885GAA 2624/4885
US-20200055822-A1 MATERIALS FOR ORGANIC ELECTRONIC DEVICES PNMT, DDT, TYR AKR1C3 2901/4885MEN1 1297/4885GAA 2645/4885

“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.