SCHEMBL16747804

SCHEMBL16747804

COc1ccc2c(C)[nH]c(=O)c(CNC(=O)OC(C)(C)C)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 4/20 0.42
▸ GFER P55789 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MTNR1A P48039 2/20 0.42
▸ MTNR1B P49286 2/20 0.42
▸ PDE3B Q13370 3/20 0.41
▸ PDE3A Q14432 3/20 0.41
▸ DYRK1A Q13627 2/20 0.41
▸ PRMT5 O14744 1/20 0.41
▸ WDR77 Q9BQA1 1/20 0.41
▸ AKR1C2 P52895 1/20 0.40
▸ PDE10A Q9Y233 4/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ EZH2 Q15910 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ ALOX15 P16050 1/20 0.38

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
SCHEMBL16740921 0.86 AKR1C2 (0.48) HSD17B10L3MBTL1MTNR1AMTNR1BPDE3B
SCHEMBL16747772 0.85 PDE3B (0.58) PDE3BPDE3APDE10A
SCHEMBL16747787 0.83 PARP1 (0.44) HSD17B10L3MBTL1PRMT5WDR77ALDH1A1
SCHEMBL16740947 0.74 HTR1D (0.49) HSD17B10PDE3BPDE3AAKR1C2PDE10A
SCHEMBL25930340 0.74 EZH2 (0.48) EZH2
SCHEMBL4241544 0.73 MTNR1B (0.73) HSD17B10MTNR1AMTNR1BAKR1C2ALDH1A1
SCHEMBL16120372 0.72 EZH2 (0.51) EZH2
SCHEMBL12680216 0.72 GFER (0.47) HSD17B10GFERL3MBTL1DYRK1AALDH1A1
SCHEMBL24000552 0.72 ENPP1 (0.63) HSD17B10GFERL3MBTL1DYRK1APRMT5
SCHEMBL30336967 0.72 ENPP1 (0.63) HSD17B10GFERL3MBTL1DYRK1APRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738630-B2 Inhibitors of lysine methyl transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 — — US disclosed
US-9738630-B2 Inhibitors of lysine methyl transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 — — US disclosed
US-20160297806-A1 INHIBITORS OF LYSINE METHYL TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2016-10-13 — — US disclosed
US-20160297806-A1 INHIBITORS OF LYSINE METHYL TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2016-10-13 — — US disclosed
WO-2015077193-A1 INHIBITORS OF LYSINE METHYL TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-28 — — WO 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-20160297806-A1 INHIBITORS OF LYSINE METHYL TRANSFERASE EZH2, DOT1L, EHMT1 HSD17B10 2976/4885GFER 3947/4885L3MBTL1 494/4885

“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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