SCHEMBL21049838

SCHEMBL21049838

C=CC(=O)c1ccc(OCCBr)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ ALDH5A1 P51649 1/20 0.48
▸ ABAT P80404 1/20 0.48
▸ AKT1 P31749 1/20 0.46
▸ THRB P10828 5/20 0.45
▸ THRA P10827 3/20 0.44
▸ PKM P14618 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ JAK1 P23458 1/20 0.42

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
SCHEMBL14192502 0.87 L3MBTL1 (0.58) L3MBTL1ALDH1A1ALDH5A1ABATAKT1
SCHEMBL14192484 0.86 GAA (0.59) L3MBTL1ALDH1A1ALDH5A1ABATTHRB
SCHEMBL5108830 0.84 L3MBTL1 (0.46) L3MBTL1ALDH1A1PKMMAPTGAA
SCHEMBL27424165 0.83 THRB (0.63) L3MBTL1ALDH1A1THRBTHRAMEN1
SCHEMBL20210968 0.83 L3MBTL1 (0.53) L3MBTL1ALDH1A1ALDH5A1ABATAKT1
SCHEMBL6538549 0.80 TP53 (0.64) L3MBTL1THRBTHRAMEN1TP53
SCHEMBL69068 0.80 GAA (0.59) L3MBTL1PKMMAPTGAAKDM4E
SCHEMBL28657555 0.79 TP53 (0.67) THRBTHRAGAAMEN1TP53
SCHEMBL30383391 0.79 NPC1 (0.54) L3MBTL1ALDH1A1ALDH5A1ABATAKT1
SCHEMBL14192482 0.79 ALDH5A1 (0.52) L3MBTL1ALDH1A1ALDH5A1ABATAKT1

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
CN-111417625-A Caffeic acid derivatives for the treatment of hyperproliferative diseases 德克萨斯大学系统董事会 2020-07-14 — — CN disclosed
US-10703721-B2 Caffeic acid derivatives and uses thereof BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-07-07 — — US disclosed
US-20190177276-A1 CAFFEIC ACID DERIVATIVES AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-06-13 — — 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-10703721-B2 Caffeic acid derivatives and uses thereof GLS, GLS2, NCOA2 L3MBTL1 4800/4885ALDH1A1 204/4885ALDH5A1 145/4885
US-20190177276-A1 CAFFEIC ACID DERIVATIVES AND USES THEREOF GLS, GLS2, NCOA2 L3MBTL1 4800/4885ALDH1A1 204/4885ALDH5A1 145/4885

“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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