SCHEMBL23831114

SCHEMBL23831114

O=C1C=C(Nc2cccc(O)c2)C(=O)C=C1Nc1cccc(O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 1/20 0.60
▸ CYP3A4 P08684 2/20 0.57
▸ TSHR P16473 1/20 0.57
▸ HDAC6 Q9UBN7 1/20 0.52
▸ BRAF P15056 4/20 0.51
▸ RAPGEF4 Q8WZA2 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ GSK3B P49841 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ APP P05067 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ HSP90AB1 P08238 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ ALOX12 P18054 1/20 0.45

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
SCHEMBL30193381 1.00 DNM1 (0.60) DNM1CYP3A4TSHRHDAC6BRAF
SCHEMBL11677342 0.90 DNM1 (0.50) DNM1CYP3A4TSHRHDAC6BRAF
SCHEMBL29098362 0.86 CYP3A4 (0.50) DNM1CYP3A4TSHRHDAC6BRAF
SCHEMBL1389429 0.79 CYP3A4 (0.86) CYP3A4TSHRHDAC6BRAFRAPGEF4
SCHEMBL30026816 0.79 CYP3A4 (0.86) CYP3A4TSHRHDAC6BRAFRAPGEF4
SCHEMBL13302358 0.77 CYP3A4 (0.82) CYP3A4TSHRHDAC6BRAFRAPGEF4
SCHEMBL23831115 0.77 CDC25B (0.71) ALDH1A1GSK3BMEN1KMT2AMAPT
SCHEMBL30193901 0.77 CDC25B (0.71) ALDH1A1GSK3BMEN1KMT2AMAPT
SCHEMBL636416 0.75 DNM1 (1.00) DNM1CYP3A4TSHRALDH1A1MEN1
SCHEMBL755665 0.74 MAPT (0.64) DNM1TSHRALDH1A1MEN1KMT2A

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-20230142547-A1 COMPOUNDS FOR TREATING OR PREVENTING A CORONAVIRIDAE INFECTION & METHODS AND USES FOR ASSESSING THE OCCURRENCE OF A CORONAVIRIDAE INFECTION ABIVAX (FR) 2023-05-11 — — US disclosed
EP-4121053-A1 COMPOUNDS FOR TREATING OR PREVENTING A CORONAVIRIDAE INFECTION & METHODS AND USES FOR ASSESSING THE OCCURRENCE OF A CORONAVIRIDAE INFECTION ABIVAX (FR) 2023-01-25 — — EP disclosed
WO-2021186053-A1 COMPOUNDS FOR TREATING OR PREVENTING A CORONAVIRIDAE INFECTION & METHODS AND USES FOR ASSESSING THE OCCURRENCE OF A CORONAVIRIDAE INFECTION ABIVAX (FR) 2021-09-23 — — 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-20230142547-A1 COMPOUNDS FOR TREATING OR PREVENTING A CORONAVIRIDAE INFECTION & METHODS AND USES FOR ASSESSING THE OCCURRENCE OF A CORONAVIRIDAE INFECTION ACE, ACE2, SARS1 DNM1 1018/4885CYP3A4 227/4885TSHR 4603/4885

“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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