SCHEMBL23996037

SCHEMBL23996037

COc1cc(OC)c(OC)cc1/C=N/NC(C)(C)N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 11/20 0.50
▸ ALDH1A1 P00352 9/20 0.50
▸ GAA P10253 8/20 0.50
▸ LMNA P02545 2/20 0.50
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ POLB P06746 3/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ HPGD P15428 6/20 0.43
▸ TSHR P16473 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MAPT P10636 4/20 0.42
▸ HTT P42858 1/20 0.42
▸ HMGCR P04035 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ NFE2L2 Q16236 1/20 0.38
▸ XBP1 P17861 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ PARP1 P09874 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
SCHEMBL23996039 0.81 ALDH1A1 (0.76) KDM4EALDH1A1GAALMNAMEN1
SCHEMBL2318213 0.76 KDM4E (0.54) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL7750362 0.72 KDM4E (0.58) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL7750369 0.72 KDM4E (0.58) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL13673606 0.71 KDM4E (0.57) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL23996051 0.69 RAB9A (0.58) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL28687238 0.69 TSHR (0.54) KDM4EALDH1A1GAALMNAMEN1
SCHEMBL13673599 0.68 KDM4E (0.54) KDM4EALDH1A1GAAMEN1KMT2A
Methoxymethane SCHEMBL28666837 0.67 TSHR (0.52) KDM4EALDH1A1GAALMNAMEN1
SCHEMBL24211891 0.66 ALDH1A1 (0.50) KDM4EALDH1A1GAALMNAMEN1

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-11166464-B2 Self-assembled active agents THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2021-11-09 — — 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-11166464-B2 Self-assembled active agents PCNA, POLM, MUS81 KDM4E 3334/4885ALDH1A1 110/4885GAA 729/4885

“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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