SCHEMBL21467950

SCHEMBL21467950

CC(C)(Oc1ccc(C2CCCC2)cc1)C(=O)O/N=C(\N)Cc1ccc(Cl)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.49
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ TP53 P04637 1/20 0.46
▸ LMNA P02545 2/20 0.46
▸ EPHX2 P34913 1/20 0.44
▸ HSP90AA1 P07900 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ POLB P06746 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ ABCB11 O95342 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL23094229 0.88 L3MBTL1 (0.60) TDP1L3MBTL1TP53LMNAHSP90AA1
SCHEMBL21467690 0.73 L3MBTL1 (0.59) TDP1L3MBTL1TP53LMNAHSP90AA1
SCHEMBL11191883 0.73 PPARA (0.50) TDP1L3MBTL1LMNAKMT2AMEN1
SCHEMBL23094173 0.72 LMNA (0.51) TDP1L3MBTL1LMNAHSP90AA1KMT2A
SCHEMBL21467969 0.71 L3MBTL1 (0.63) TDP1L3MBTL1TP53LMNAHSP90AA1
SCHEMBL23094271 0.70 MEN1 (0.55) TDP1L3MBTL1LMNAHSP90AA1KMT2A
SCHEMBL21467944 0.69 TDP1 (0.45) TDP1L3MBTL1LMNAKMT2AMEN1
SCHEMBL25209491 0.67 PPARA (0.43) L3MBTL1LMNAKMT2AMEN1MAPT
SCHEMBL23094275 0.66 TDP1 (1.00) TDP1L3MBTL1TP53LMNAHSP90AA1
SCHEMBL23094309 0.66 TDP1 (1.00) TDP1L3MBTL1TP53LMNAHSP90AA1

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-20190315681-A1 SMALL MOLECULE FERROPTOSIS INDUCERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2019-10-17 — — 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-20190315681-A1 SMALL MOLECULE FERROPTOSIS INDUCERS GPX4, AIFM2, GPX1 TDP1 4664/4885L3MBTL1 2077/4885TP53 1242/4885

“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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