SCHEMBL16744331

SCHEMBL16744331

CCOC(=O)c1cc(Br)c2c(c1)CC(C)=C(C)CO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
ESR1 P03372 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PRF1 P14222 1/20 0.35
MAPT P10636 5/20 0.35
ESR2 Q92731 1/20 0.35
LMNA P02545 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAOA P21397 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL16742115 0.87 NOTUM (0.37) CA12CA1CA2CA7CA9
SCHEMBL4290010 0.73 TSHR (0.41) CA12CA1CA2CA7CA9
SCHEMBL31480901 0.73 RAB9A (0.50) CA12CA1CA2CA7CA9
SCHEMBL16744311 0.71 MEN1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL6209343 0.71 CA12 (0.40) CA12CA1CA2CA7CA9
SCHEMBL31359546 0.69 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL11144491 0.68 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL16742189 0.68 NOTUM (0.36) CA12CA1CA2CA7CA9
SCHEMBL16742363 0.68 KMT2A (0.43) CA12CA1CA2CA7CA9
SCHEMBL15358133 0.67 CA12 (0.51) CA12CA1CA2CA7CA9

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-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
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 CA12 3945/4885CA1 4065/4885CA2 3651/4885

“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.