SCHEMBL16740945

SCHEMBL16740945

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.49
▸ HSD17B10 Q99714 4/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPK1 P28482 1/20 0.45
▸ ALDH1A1 P00352 7/20 0.44
▸ HPGD P15428 3/20 0.44
▸ PARP15 Q460N3 1/20 0.43
▸ PARP14 Q460N5 1/20 0.43
▸ PARP10 Q53GL7 1/20 0.43
▸ TNKS2 Q9H2K2 1/20 0.43
▸ PARP2 Q9UGN5 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ STING1 Q86WV6 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL16740903 0.80 PDE3B (0.65) KDM4EALDH1A1HPGDPDE3BPDE3A
SCHEMBL11297434 0.78 MAPK1 (0.51) KDM4EHSD17B10MAPK1ALDH1A1HPGD
SCHEMBL16740905 0.78 PDE3B (0.64) KDM4EHSD17B10LMNAALDH1A1HPGD
SCHEMBL16740927 0.75 CYP1A2 (0.44) KDM4EALDH1A1HPGDTNKS2CYP1A2
SCHEMBL1428940 0.75 ALDH1A1 (0.58) KDM4EHSD17B10ALDH1A1HPGDMAPT
SCHEMBL31429037 0.75 ALDH1A1 (0.58) KDM4EHSD17B10ALDH1A1HPGDMAPT
SCHEMBL28873648 0.75 KDM4E (0.59) KDM4EHSD17B10ALDH1A1HPGDMAPT
SCHEMBL16740947 0.75 HTR1D (0.49) KDM4EHSD17B10LMNAALDH1A1HPGD
SCHEMBL16747722 0.74 LMNA (0.46) HSD17B10LMNAALDH1A1MAPTMEN1
SCHEMBL12324334 0.72 KDM4E (0.45) KDM4EHSD17B10LMNAMAPK1ALDH1A1

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 8 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-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
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
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 KDM4E 24/4885HSD17B10 2976/4885LMNA 3571/4885

“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.

Send feedback