SCHEMBL17361343

SCHEMBL17361343

O=C(O)c1cc(CCc2cc(C(=O)O)n(-c3cccc(Br)c3)n2)nn1-c1cccc(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ GAA P10253 1/20 0.44
▸ RPA1 P27694 1/20 0.44
▸ KLKB1 P03952 2/20 0.44
▸ GRN P28799 1/20 0.43
▸ SORT1 Q99523 1/20 0.43
▸ ALKBH5 Q6P6C2 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ RXRA P19793 2/20 0.41
▸ RXRB P28702 2/20 0.41
▸ RXRG P48443 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL17369126 0.85 ALDH1A1 (0.59) ALDH1A1GAARPA1KLKB1GRN
SCHEMBL20028012 0.81 KMT2A (0.53) ALDH1A1GAARPA1GRNSORT1
SCHEMBL27795107 0.77 ALDH1A1 (0.59) ALDH1A1GAAGRNSORT1KMT2A
SCHEMBL18277670 0.75 RPA1 (0.46) ALDH1A1GAARPA1KLKB1GRN
SCHEMBL28051321 0.75 ALKBH5 (0.44) ALDH1A1GAARPA1GRNSORT1
SCHEMBL27889993 0.74 HTT (0.51) ALDH1A1GAAKLKB1GRNSORT1
SCHEMBL15869371 0.73 ALDH1A1 (0.60) ALDH1A1GAARPA1KLKB1GRN
SCHEMBL17361337 0.72 MGLL (0.35) ALDH1A1RPA1KMT2AMEN1POLB
SCHEMBL16111401 0.72 ALDH1A1 (0.59) ALDH1A1GAARPA1KLKB1GRN
SCHEMBL3831066 0.71 NOTUM (0.43) ALDH1A1GAAKLKB1GRNSORT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10700293-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2020-06-30 — — US disclosed
US-10700293-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2020-06-30 — — US disclosed
US-20180277776-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2018-09-27 — — US disclosed
US-9911931-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-03-06 — — US disclosed
US-9911931-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-03-06 — — US disclosed
US-9911931-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-03-06 — — US disclosed
US-20150380666-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2015-12-31 — — US disclosed
US-20150380666-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2015-12-31 — — US disclosed
US-20150380666-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2015-12-31 — — 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 (3 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-10700293-B2 Organic electroluminescent materials and devices MLX, OPRD1, NR1H2 ALDH1A1 2942/4885GAA 3518/4885RPA1 2845/4885
US-20180277776-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES MLX, OPRD1, NR1H2 ALDH1A1 2942/4885GAA 3518/4885RPA1 2845/4885
US-20150380666-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES MLX, OPRD1, OPRM1 ALDH1A1 2733/4885GAA 3611/4885RPA1 2519/4885

“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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