SCHEMBL20462472

SCHEMBL20462472

c1ccc2c(Nc3cc4ccccc4c4ccccc34)cccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.57
▸ HSD17B10 Q99714 3/20 0.57
▸ CDC25B P30305 3/20 0.57
▸ CYP3A4 P08684 2/20 0.57
▸ TP53 P04637 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ ATM Q13315 1/20 0.57
▸ FADS1 O60427 1/20 0.51
▸ KDM4E B2RXH2 4/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ CCR4 P51679 3/20 0.47

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
SCHEMBL16760997 0.89 ALDH1A1 (0.57) ALDH1A1HSD17B10CDC25BCYP3A4TP53
SCHEMBL21645599 0.88 HPRT1 (0.61) ALDH1A1HSD17B10CDC25BCYP3A4TP53
SCHEMBL25433150 0.85 ALDH1A1 (0.44) ALDH1A1HSD17B10CDC25BCYP3A4TP53
SCHEMBL6541282 0.85 HPRT1 (0.64) ALDH1A1HSD17B10CDC25BCYP3A4TP53
SCHEMBL9572742 0.85 HPRT1 (0.64) ALDH1A1HSD17B10CDC25BCYP3A4TP53
SCHEMBL49213 0.85 HSD17B10 (0.74) ALDH1A1HSD17B10CDC25BCYP3A4TP53
SCHEMBL4849433 0.83 ALDH1A1 (0.52) ALDH1A1HSD17B10CDC25BCYP3A4TP53
SCHEMBL1921580 0.83 HSD17B10 (0.71) ALDH1A1HSD17B10CDC25BCYP3A4TP53
SCHEMBL8500339 0.83 HSD17B10 (0.71) ALDH1A1HSD17B10CDC25BCYP3A4TP53
Ammonia Solution, Strong SCHEMBL11586421 0.83 HSD17B10 (0.71) ALDH1A1HSD17B10CDC25BCYP3A4TP53

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-12022729-B2 Compound for organic electric element, organic electric element comprising the same, and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2024-06-25 — — US disclosed
WO-2022131768-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME 솔루스첨단소재 주식회사 2022-06-23 — — WO disclosed
US-20180226585-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC APPARATUS THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2018-08-09 — — 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-12022729-B2 Compound for organic electric element, organic electric element comprising the same, and electronic device thereof PIEZO1, VDAC2, ORAI2 ALDH1A1 1855/4885HSD17B10 3125/4885CDC25B 1824/4885
US-20180226585-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC APPARATUS THEREOF PIEZO1, ORAI2, VDAC2 ALDH1A1 1529/4885HSD17B10 3019/4885CDC25B 2517/4885

“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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