SCHEMBL25801805

SCHEMBL25801805

Cc1cc(Br)c2c(c1)COC(C(C)C)C2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
GAA P10253 2/20 0.41
TNKS O95271 4/20 0.40
TNKS2 Q9H2K2 4/20 0.40
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MAPT P10636 1/20 0.32
HIF1A Q16665 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL21777429 0.76 TNKS (0.40) KDM4EGAATNKSTNKS2ALDH1A1
SCHEMBL21777971 0.75 KDM4E (0.41) KDM4EGAATNKSTNKS2ALDH1A1
SCHEMBL10262099 0.72 KDM4E (0.40) KDM4EGAATNKSTNKS2ALDH1A1
SCHEMBL21787265 0.68 KDM4E (0.30) KDM4EGAA
SCHEMBL5611547 0.67 KDM4E (0.31) KDM4EALDH1A1MEN1KMT2A
SCHEMBL19393517 0.66 FYN (0.38)
SCHEMBL25087408 0.64 TNKS (0.45) KDM4EGAATNKSTNKS2ALDH1A1
SCHEMBL19230721 0.64 TNKS (0.45) KDM4EGAATNKSTNKS2ALDH1A1
SCHEMBL10199385 0.64 TNKS (0.40) KDM4EGAATNKSTNKS2ALDH1A1
SCHEMBL21787493 0.64 TNKS (0.40) KDM4EGAATNKSTNKS2ALDH1A1

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-20230219949-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2023-07-13 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-20230219949-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV KDM4E 3514/4885GAA 388/4885TNKS 841/4885

“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.