SCHEMBL27337885

SCHEMBL27337885

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N(Cc2ccccc2)Cc2ccccc2)[C@H](O)[C@H](C)O1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S100A4 P26447 7/20 0.82
▸ PAX8 Q06710 5/20 0.82
▸ HSP90AA1 P07900 4/20 0.82
▸ MEN1 O00255 9/20 0.76
▸ THRB P10828 9/20 0.76
▸ KMT2A Q03164 9/20 0.76
▸ BLM P54132 8/20 0.76
▸ RECQL P46063 7/20 0.76
▸ BRCA1 P38398 6/20 0.76
▸ SMN1; SMN2 Q16637 6/20 0.76
▸ HIF1A Q16665 6/20 0.76
▸ MAPT P10636 6/20 0.76
▸ TDP1 Q9NUW8 6/20 0.76
▸ CYP3A4 P08684 4/20 0.76
▸ USP2 O75604 4/20 0.76
▸ MAPK1 P28482 4/20 0.76
▸ TOP2A P11388 4/20 0.76
▸ HTT P42858 4/20 0.76
▸ CYP1A2 P05177 3/20 0.76
▸ CHRM1 P11229 3/20 0.76

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
SCHEMBL162675 1.00 S100A4 (0.82) S100A4PAX8HSP90AA1MEN1THRB
SCHEMBL30260668 1.00 S100A4 (0.82) S100A4PAX8HSP90AA1MEN1THRB
SCHEMBL25015224 1.00 S100A4 (0.82) S100A4PAX8HSP90AA1MEN1THRB
Hydrochloric Acid SCHEMBL15646425 0.99 S100A4 (0.81) S100A4PAX8HSP90AA1MEN1THRB
Hydrochloric Acid SCHEMBL22589715 0.99 S100A4 (0.81) S100A4PAX8HSP90AA1MEN1THRB
SCHEMBL10608078 0.94 S100A4 (0.76) S100A4PAX8HSP90AA1MEN1THRB
SCHEMBL7899430 0.94 S100A4 (0.84) S100A4PAX8HSP90AA1MEN1THRB
SCHEMBL7805227 0.91 S100A4 (0.83) S100A4PAX8HSP90AA1MEN1THRB
SCHEMBL7801035 0.91 S100A4 (0.83) S100A4PAX8HSP90AA1MEN1THRB
SCHEMBL27509581 0.91 S100A4 (0.85) S100A4PAX8HSP90AA1MEN1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12625139-B2 Methods for modulation of acetyltransferase activity and applications thereof including treatments THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2026-05-12 — — US disclosed
US-12023348-B2 EGR1 targeting molecules for the treatment of inflammatory and hyperproliferative conditions The Medical Research, Infrastructure and Health Services Fund of the Tel Aviv Medical Center (IL) 2024-07-02 — — US disclosed
US-12023348-B2 EGR1 targeting molecules for the treatment of inflammatory and hyperproliferative conditions The Medical Research, Infrastructure and Health Services Fund of the Tel Aviv Medical Center (IL) 2024-07-02 — — US disclosed
US-20220196660-A1 Methods for Modulation of Acetyltransferase Activity and Applications Thereof Including Treatments THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2022-06-23 — — 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-12023348-B2 EGR1 targeting molecules for the treatment of inflammatory and hyperproliferative conditions TOE1, ATF1, ELF3 S100A4 919/4885PAX8 1169/4885HSP90AA1 602/4885
US-12625139-B2 Methods for modulation of acetyltransferase activity and applications thereof including treatments EP300, NAT10, NAT1 S100A4 3206/4885PAX8 2809/4885HSP90AA1 614/4885

“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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