SCHEMBL23094269

SCHEMBL23094269

COc1ccc(CC(=O)O/N=C(\N)Cc2cccc3ccccc23)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.76
▸ L3MBTL1 Q9Y468 7/20 0.76
▸ MAPT P10636 4/20 0.76
▸ MEN1 O00255 4/20 0.76
▸ KMT2A Q03164 4/20 0.76
▸ CYP1A2 P05177 2/20 0.76
▸ CYP3A4 P08684 2/20 0.76
▸ CYP2C19 P33261 2/20 0.76
▸ KDM4E B2RXH2 1/20 0.76
▸ GAA P10253 1/20 0.63
▸ HPGD P15428 2/20 0.62
▸ LMNA P02545 4/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ POLB P06746 1/20 0.58
▸ BLM P54132 1/20 0.58
▸ NLRP3 Q96P20 1/20 0.55
▸ GLA P06280 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ PKM P14618 1/20 0.52

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
SCHEMBL23094189 0.86 KDM4E (1.00) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL21467982 0.84 L3MBTL1 (0.79) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL23094227 0.82 CYP3A4 (1.00) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL23094204 0.77 ALDH1A1 (1.00) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL23094192 0.77 ALDH1A1 (1.00) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL7610095 0.77 PARP10 (0.57) L3MBTL1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL23094232 0.76 L3MBTL1 (1.00) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL23094230 0.76 L3MBTL1 (0.76) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL23094206 0.76 ALDH1A1 (0.79) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL23094200 0.75 LMNA (0.74) ALDH1A1L3MBTL1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10947188-B2 Small molecule ferroptosis inducers THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-03-16 — — 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-10947188-B2 Small molecule ferroptosis inducers GPX4, AIFM2, GPX1 ALDH1A1 845/4885L3MBTL1 2077/4885MAPT 4344/4885

“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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