SCHEMBL20623952

SCHEMBL20623952

c1ccc(-c2nc(-c3cccc(-c4cc5c6ccccc6c6ccccc6c5c5ccccc45)c3)nc(-c3ccc4ccccc4c3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ CYP1A2 P05177 5/20 0.43
▸ HSD17B10 Q99714 4/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ TP53 P04637 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ GSTP1 P09211 1/20 0.40
▸ ADORA2A P29274 2/20 0.40
▸ ADORA1 P30542 2/20 0.40
▸ HSD17B1 P14061 1/20 0.38
▸ HSD17B2 P37059 1/20 0.38
▸ HPGD P15428 4/20 0.38
▸ THRB P10828 1/20 0.38
▸ CYP1A1 P04798 1/20 0.38
▸ CYP1B1 Q16678 1/20 0.38
▸ GPR84 Q9NQS5 1/20 0.37
▸ MAPT P10636 3/20 0.37
▸ AURKA O14965 1/20 0.37

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
SCHEMBL20623969 0.99 ALDH1A1 (0.42) ALDH1A1CYP1A2HSD17B10MEN1KMT2A
SCHEMBL20623672 0.97 ALDH1A1 (0.41) ALDH1A1CYP1A2HSD17B10MEN1KMT2A
SCHEMBL20624280 0.97 ALDH1A1 (0.41) ALDH1A1CYP1A2HSD17B10MEN1KMT2A
SCHEMBL20623688 0.97 GSTP1 (0.42) ALDH1A1CYP1A2HSD17B10MEN1KMT2A
SCHEMBL20623962 0.96 HSD17B1 (0.42) ALDH1A1CYP1A2HSD17B10MEN1KMT2A
SCHEMBL20623957 0.94 ALDH1A1 (0.45) ALDH1A1CYP1A2HSD17B10MEN1KMT2A
SCHEMBL20624477 0.94 MEN1 (0.41) ALDH1A1CYP1A2HSD17B10MEN1KMT2A
SCHEMBL20623980 0.91 MEN1 (0.41) ALDH1A1CYP1A2HSD17B10MEN1KMT2A
SCHEMBL20623927 0.91 MEN1 (0.41) ALDH1A1CYP1A2HSD17B10MEN1KMT2A
SCHEMBL20623668 0.91 CYP1A2 (0.41) ALDH1A1CYP1A2HSD17B10MEN1KMT2A

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-20200388767-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS IDEMITSU KOSAN CO.,LTD. (JP) 2020-12-10 — — US disclosed
US-20190006598-A1 NOVEL COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, AND ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2019-01-03 — — 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 (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-20190006598-A1 NOVEL COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, AND ORGANIC ELECTROLUMINESCENCE DEVICE PIEZO1, L1CAM, TMEM109 ALDH1A1 102/4885CYP1A2 1693/4885HSD17B10 2922/4885

“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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