SCHEMBL5816355

SCHEMBL5816355

COc1ccccc1-c1cc2cc(B3OC(C)(C)C(C)(C)O3)ccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ MAPT P10636 2/20 0.59
▸ RAB9A P51151 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ MPO P05164 1/20 0.40
▸ CCNB2 O95067 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ CCNB1 P14635 1/20 0.40
▸ GSK3A P49840 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ CDK5R1 Q15078 1/20 0.40
▸ CCNB3 Q8WWL7 1/20 0.40
▸ LPL P06858 2/20 0.39
▸ LIPG Q9Y5X9 2/20 0.39

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
SCHEMBL14764900 0.85 KDM4E (0.59) KDM4EMEN1MAPTRAB9AKMT2A
SCHEMBL17206080 0.79 LIPG (0.55) KDM4EMEN1MAPTRAB9AKMT2A
SCHEMBL5820408 0.77 CARM1 (0.45) KDM4EMEN1MAPTRAB9AKMT2A
SCHEMBL27255931 0.76 KDM4E (0.72) KDM4EMEN1MAPTRAB9AKMT2A
2-(2'-Methoxyphenyl)-1H-Indole SCHEMBL5634916 0.75 KDM4E (1.00) KDM4EMEN1MAPTRAB9AKMT2A
2-(2'-Methoxyphenyl)-1H-Indole SCHEMBL31053096 0.75 KDM4E (1.00) KDM4EMEN1MAPTRAB9AKMT2A
SCHEMBL5816710 0.75 MEN1 (0.70) KDM4EMEN1MAPTRAB9AKMT2A
SCHEMBL5793212 0.74 LIPG (0.60) LPLLIPG
SCHEMBL1459028 0.73 LIPG (0.40) MAPTLPLLIPGEGFRFFAR1
SCHEMBL3190570 0.73 CYP2A6 (0.46) KDM4EMAPTALDH1A1LPLLIPG

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
WO-2006113458-A1 HETEROCYCLIC INHIBITORS OF PROTEIN ARGININE METHYL TRANSFERASES BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-26 — — WO disclosed
US-20060235037-A1 Heterocyclic inhibitors of protein arginine methyl transferases BRISTOL-MYERS SQUIBB COMPANY 2006-10-19 — — 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-20060235037-A1 Heterocyclic inhibitors of protein arginine methyl transferases PRMT1, PRMT3, PRMT8 KDM4E 646/4885MEN1 2684/4885MAPT 150/4885

“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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