SCHEMBL16744293

SCHEMBL16744293

C/C=C/COc1ccc(C(=O)OC)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.47
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
ESRRA P11474 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
XDH P47989 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
HPGD P15428 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
P4HB P07237 1/20 0.40

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
SCHEMBL16742176 1.00 NOTUM (0.47) NOTUMALDH1A1MAPTKMT2AMEN1
SCHEMBL18130258 0.86 THRA (0.44) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL16742201 0.86 THRA (0.44) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL5987282 0.84 KDM4E (0.52) NOTUMALDH1A1MAPTKMT2AMEN1
SCHEMBL19437372 0.83 NPC1 (0.48) NOTUMALDH1A1MAPTKMT2AMEN1
SCHEMBL19437370 0.83 NPC1 (0.48) NOTUMALDH1A1MAPTKMT2AMEN1
SCHEMBL6259100 0.82 ALDH1A1 (0.44) ALDH1A1MAPTKMT2AMEN1CA12
SCHEMBL6601501 0.81 MAPT (0.59) NOTUMALDH1A1MAPTKMT2AMEN1
SCHEMBL17386157 0.80 NOTUM (0.51) NOTUMALDH1A1MAPTKMT2AMEN1
SCHEMBL6294921 0.78 THRA (0.51) NOTUMALDH1A1MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9822103-B2 Inhibitors of lysine methyl transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2017-11-21 US disclosed
US-9822103-B2 Inhibitors of lysine methyl transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2017-11-21 US disclosed
US-9822103-B2 Inhibitors of lysine methyl transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2017-11-21 US disclosed
US-20160297805-A1 INHIBITORS OF LYSINE METHYL TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2016-10-13 US disclosed
US-20160297805-A1 INHIBITORS OF LYSINE METHYL TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2016-10-13 US disclosed
US-20160297805-A1 INHIBITORS OF LYSINE METHYL TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2016-10-13 US disclosed
WO-2015077194-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-20160297805-A1 INHIBITORS OF LYSINE METHYL TRANSFERASE EZH2, DOT1L, EHMT1 NOTUM 2284/4885ALDH1A1 2207/4885MAPT 2429/4885

“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.