SCHEMBL23835697

SCHEMBL23835697

CCOC(=O)COc1ccc2cc(-c3nc4ccccc4o3)c(=O)oc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 11/20 0.60
▸ ALDH1A1 P00352 10/20 0.60
▸ HPGD P15428 8/20 0.60
▸ MAPT P10636 8/20 0.60
▸ HSD17B10 Q99714 6/20 0.60
▸ GAA P10253 5/20 0.60
▸ TP53 P04637 5/20 0.60
▸ GLA P06280 4/20 0.60
▸ MAPK1 P28482 3/20 0.60
▸ RAB9A P51151 9/20 0.55
▸ NPC1 O15118 8/20 0.55
▸ SMN1; SMN2 Q16637 7/20 0.55
▸ PKM P14618 2/20 0.55
▸ CASP1 P29466 1/20 0.55
▸ CASP7 P55210 1/20 0.55
▸ RECQL P46063 1/20 0.53
▸ MAOB P27338 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL381288 0.80 KDM4E (0.67) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL7898144 0.79 KDM4E (0.62) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL5533172 0.79 KDM4E (0.58) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL11054587 0.79 KDM4E (0.76) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL9149718 0.76 KDM4E (0.63) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL26050351 0.76 KDM4E (0.74) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL10532629 0.76 KDM4E (1.00) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL15616846 0.76 ALDH1A1 (0.80) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL16819879 0.74 KDM4E (0.70) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL2490607 0.74 KDM4E (0.74) KDM4EALDH1A1HPGDMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220062242-A1 Methods and compositions for inhibiting mutant EGFR signaling THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2022-03-03 — — US disclosed
US-11123330-B2 Methods and compositions for inhibiting mutant EGFR signaling THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2021-09-21 — — 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-11123330-B2 Methods and compositions for inhibiting mutant EGFR signaling EGFR, ERBB2, ERBB4 KDM4E 2737/4885ALDH1A1 4376/4885HPGD 4021/4885
US-20220062242-A1 Methods and compositions for inhibiting mutant EGFR signaling EGFR, ERBB2, ERBB4 KDM4E 2737/4885ALDH1A1 4376/4885HPGD 4021/4885

“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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