SCHEMBL21453977

SCHEMBL21453977

c1cc(-c2cccc(-n3c4cc5c(cc4c4cccnc43)sc3ccccc35)c2)cc(-n2c3ccccc3c3ccccc32)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ACHE P22303 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ FEN1 P39748 1/20 0.32
▸ GPR3 P46089 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL21453980 0.96 ALDH1A1 (0.36) ALDH1A1TSHRCYP2C19ACHEKDM4E
SCHEMBL21453908 0.91 DDB1 (0.36) ALDH1A1TSHRCYP2C19ACHE
SCHEMBL22139297 0.90 ALDH1A1 (0.38) ALDH1A1TSHRCYP2C19ACHEKDM4E
SCHEMBL21454339 0.90 PDE4B (0.32) ALDH1A1TSHRCYP2C19ACHE
SCHEMBL804802 0.89 ALDH1A1 (0.37) ALDH1A1TSHRCYP2C19ACHEKDM4E
SCHEMBL13172892 0.89 ALDH1A1 (0.34) ALDH1A1TSHRCYP2C19ACHEKDM4E
SCHEMBL13172890 0.89 ALDH1A1 (0.34) ALDH1A1TSHRCYP2C19ACHEKDM4E
SCHEMBL24676250 0.89 L3MBTL1 (0.42) ALDH1A1KDM4EATML3MBTL1GPR3
SCHEMBL16743110 0.89 L3MBTL1 (0.42) ALDH1A1KDM4EATML3MBTL1GPR3
SCHEMBL21453455 0.88 KDM4E (0.34) ALDH1A1ACHEKDM4EATML3MBTL1

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-11469381-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2022-10-11 — — US disclosed
US-20190312209-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-10-10 — — 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-11469381-B2 Condensed cyclic compound and organic light-emitting device including the same ARL1, CCNL2, CRY1 ALDH1A1 312/4885TSHR 3537/4885CYP2C19 2096/4885
US-20190312209-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME ARL1, CCNL2, CRY1 ALDH1A1 312/4885TSHR 3537/4885CYP2C19 2096/4885

“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.

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