SCHEMBL21481285

SCHEMBL21481285

c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cccnc5n6-c5ccc(-c6ccccc6)cc5)ccc43)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
FEN1 P39748 1/20 0.40
TSPO P30536 1/20 0.38
HDAC4 P56524 1/20 0.38
NPY5R Q15761 1/20 0.37
PDE4A P27815 4/20 0.37
PDE4B Q07343 4/20 0.37
PDE4C Q08493 4/20 0.37
PDE4D Q08499 4/20 0.37
RAC2 P15153 1/20 0.34
RAC3 P60763 1/20 0.34
CDC42 P60953 1/20 0.34
RAC1 P63000 1/20 0.34
PTGER4 P35408 1/20 0.34
LDHA P00338 1/20 0.34

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
SCHEMBL18958677 0.96 ALDH1A1 (0.45) ALDH1A1TSHRCYP2C19KDM4EATM
SCHEMBL18958832 0.96 ALDH1A1 (0.45) ALDH1A1TSHRCYP2C19KDM4EATM
SCHEMBL25920534 0.96 ALDH1A1 (0.44) ALDH1A1TSHRCYP2C19KDM4EATM
SCHEMBL17348640 0.95 ALDH1A1 (0.47) ALDH1A1TSHRCYP2C19KDM4EATM
SCHEMBL21481362 0.95 ALDH1A1 (0.44) ALDH1A1TSHRCYP2C19KDM4EATM
SCHEMBL21481357 0.95 ALDH1A1 (0.44) ALDH1A1TSHRCYP2C19KDM4EATM
SCHEMBL21485491 0.95 ALDH1A1 (0.41) ALDH1A1TSHRCYP2C19KDM4EATM
SCHEMBL17348892 0.95 ALDH1A1 (0.47) ALDH1A1TSHRCYP2C19KDM4EATM
SCHEMBL15945588 0.94 KDM4E (0.51) ALDH1A1TSHRCYP2C19KDM4EATM
SCHEMBL17124092 0.93 ALDH1A1 (0.51) ALDH1A1TSHRCYP2C19KDM4EATM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230363270-A1 ORGANIC COMPOUNDS, ORGANIC MIXTURES AND THE USES THEREOF Zhejiang Brilliant Optoelectronic Technology Co.,Ltd. (CN) 2023-11-09 US disclosed
US-20230363270-A1 ORGANIC COMPOUNDS, ORGANIC MIXTURES AND THE USES THEREOF Zhejiang Brilliant Optoelectronic Technology Co.,Ltd. (CN) 2023-11-09 US disclosed
US-20190319197-A1 ORGANIC COMPOUND, APPLICATIONS THEREOF, ORGANIC MIXTURE, AND ORGANIC ELECTRONIC DEVICE GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2019-10-17 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-20190319197-A1 ORGANIC COMPOUND, APPLICATIONS THEREOF, ORGANIC MIXTURE, AND ORGANIC ELECTRONIC DEVICE PIEZO1, OR10J3, OR51E2 ALDH1A1 108/4885TSHR 3521/4885CYP2C19 26/4885
US-20230363270-A1 ORGANIC COMPOUNDS, ORGANIC MIXTURES AND THE USES THEREOF AOX1, ODC1, OTC ALDH1A1 130/4885TSHR 4565/4885CYP2C19 38/4885

“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.