SCHEMBL20232133

SCHEMBL20232133

c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(-n3c4ccccc4c4ccccc4c4ccccc4c4ccccc43)cccc21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
DUSP3 P51452 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
OPRK1 P41145 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL29892197 0.97 ALDH1A1 (0.40) ALDH1A1DUSP3KDM4EATML3MBTL1
SCHEMBL8783916 0.97 ALDH1A1 (0.40) ALDH1A1DUSP3KDM4EATML3MBTL1
SCHEMBL18374575 0.94 ALDH1A1 (0.38) ALDH1A1DUSP3KDM4EATML3MBTL1
SCHEMBL21138936 0.89 ALDH1A1 (0.33) ALDH1A1DUSP3KDM4EATML3MBTL1
SCHEMBL21303333 0.88 PDK2 (0.41) ALDH1A1DUSP3KDM4EATML3MBTL1
SCHEMBL15840180 0.88 DUSP3 (0.39) ALDH1A1DUSP3KDM4EATML3MBTL1
SCHEMBL17562312 0.88 ALDH1A1 (0.31) ALDH1A1DUSP3
SCHEMBL20374288 0.88 KDM4E (0.36) ALDH1A1DUSP3KDM4EATML3MBTL1
SCHEMBL19684072 0.87 KDM4E (0.36) ALDH1A1DUSP3KDM4EATML3MBTL1
SCHEMBL21688332 0.87 MAOA (0.41) ALDH1A1DUSP3

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
EP-3548481-B1 HETEROCYCLIC COMPOUNDS FOR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-08-23 EP disclosed
US-11329233-B2 Heterocyclic compounds for use in electronic devices MERCK PATENT GMBH (DE) 2022-05-10 US disclosed
US-20190296250-A1 HETEROCYCLIC COMPOUNDS FOR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-09-26 US disclosed
WO-2018100029-A1 HETEROCYCLIC COMPOUNDS FOR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-06-07 WO 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-20190296250-A1 HETEROCYCLIC COMPOUNDS FOR USE IN ELECTRONIC DEVICES NQO1, DDT, ETV6 ALDH1A1 221/4885DUSP3 3193/4885KDM4E 1555/4885
US-11329233-B2 Heterocyclic compounds for use in electronic devices NQO1, DDT, ETV6 ALDH1A1 221/4885DUSP3 3193/4885KDM4E 1555/4885

“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.