SCHEMBL23094155

SCHEMBL23094155

CCC(C(=O)O/N=C(\N)Cc1cccc2ccccc12)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 8/20 0.57
▸ MAPT P10636 3/20 0.57
▸ KDM4E B2RXH2 2/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ MEN1 O00255 4/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ NLRP3 Q96P20 1/20 0.55
▸ ALDH1A1 P00352 6/20 0.54
▸ TDP1 Q9NUW8 2/20 0.53
▸ THRB P10828 1/20 0.53
▸ HPGD P15428 3/20 0.52
▸ LMNA P02545 3/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ PKM P14618 1/20 0.46
▸ HTT P42858 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
SCHEMBL23094237 0.77 TP53 (0.61) L3MBTL1MAPTMEN1KMT2AALDH1A1
SCHEMBL23094299 0.75 KDM4E (0.62) L3MBTL1MAPTKDM4ECYP1A2CYP3A4
SCHEMBL23094295 0.73 L3MBTL1 (0.54) L3MBTL1MAPTKDM4ECYP1A2CYP3A4
SCHEMBL21467723 0.72 L3MBTL1 (1.00) L3MBTL1MAPTKDM4ECYP1A2CYP3A4
SCHEMBL23094224 0.72 L3MBTL1 (0.67) L3MBTL1MAPTKDM4ECYP1A2CYP3A4
SCHEMBL23094189 0.71 KDM4E (1.00) L3MBTL1MAPTKDM4ECYP1A2CYP3A4
SCHEMBL21467982 0.71 L3MBTL1 (0.79) L3MBTL1MAPTKDM4ECYP1A2CYP3A4
SCHEMBL23094276 0.71 L3MBTL1 (0.65) L3MBTL1MAPTKDM4ECYP1A2CYP3A4
SCHEMBL23094215 0.71 L3MBTL1 (0.78) L3MBTL1MAPTKDM4ECYP1A2CYP3A4
SCHEMBL599640 0.70 KDM4E (0.45) L3MBTL1KDM4EMEN1KMT2AALDH1A1

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 L3MBTL1 2077/4885MAPT 4344/4885KDM4E 2315/4885

“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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