SCHEMBL24079128

SCHEMBL24079128

c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(Nc3ccc4c(c3)-c3cccc5cccc-4c35)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.44
▸ MAPK1 P28482 5/20 0.44
▸ HSD17B10 Q99714 4/20 0.44
▸ TSHR P16473 3/20 0.44
▸ CASP1 P29466 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ CASP7 P55210 2/20 0.44
▸ HIF1A Q16665 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ ATM Q13315 2/20 0.44
▸ PDK2 Q15119 3/20 0.43
▸ KLK7 P49862 1/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ PABPC1 P11940 1/20 0.38
▸ DNMT1 P26358 1/20 0.38
▸ MAPT P10636 4/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32

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
SCHEMBL24078981 0.92 KLK7 (0.46) ALDH1A1MAPK1HSD17B10TSHRCASP1
SCHEMBL16002573 0.89 PDK2 (0.50) ALDH1A1MAPK1HSD17B10TSHRHPGD
SCHEMBL18054948 0.88 PDK2 (0.53) ALDH1A1MAPK1HSD17B10TSHRHPGD
SCHEMBL21665676 0.86 TSHR (0.40) ALDH1A1MAPK1HSD17B10TSHRCASP1
SCHEMBL26006827 0.85 PDK2 (0.46) ALDH1A1MAPK1HSD17B10TSHRCASP1
SCHEMBL808146 0.84 PDK2 (0.54) ALDH1A1MAPK1HSD17B10TSHRHPGD
SCHEMBL17965671 0.82 PDK2 (0.57) ALDH1A1MAPK1HSD17B10TSHRHPGD
SCHEMBL17993818 0.82 PDK2 (0.57) ALDH1A1MAPK1HSD17B10TSHRHPGD
SCHEMBL14520997 0.81 ALDH1A1 (0.55) ALDH1A1MAPK1HSD17B10HPGDHIF1A
SCHEMBL23008023 0.81 ALDH1A1 (0.54) ALDH1A1MAPK1HSD17B10TSHRCASP1

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-20230320198-A1 COMPOUND AND APPLICATION THEREOF GUANGDONG AGLAIA OPTOELECTRONIC MATERIALS CO., LTD (CN) 2023-10-05 — — US disclosed
US-20230320198-A1 COMPOUND AND APPLICATION THEREOF GUANGDONG AGLAIA OPTOELECTRONIC MATERIALS CO., LTD (CN) 2023-10-05 — — US disclosed
WO-2021238622-A1 COMPOUND AND APPLICATION THEREOF 广东阿格蕾雅光电材料有限公司 2021-12-02 — — 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 (1 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-20230320198-A1 COMPOUND AND APPLICATION THEREOF TRPA1, TRPV5, TRPM5 ALDH1A1 1040/4885MAPK1 1258/4885HSD17B10 1292/4885

“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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