SCHEMBL16110707

SCHEMBL16110707

O=C1c2ccc(Br)cc2OCC1Br

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.48
S100A4 P26447 1/20 0.39
PBRM1 Q86U86 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
BLM P54132 1/20 0.38
CA2 P00918 1/20 0.38
AHR P35869 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSP90AA1 P07900 1/20 0.35
TLR9 Q9NR96 1/20 0.35
PTPRC P08575 1/20 0.35
METAP1 P53582 1/20 0.35

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
SCHEMBL16111322 0.88 CYP19A1 (0.61) CYP19A1S100A4PBRM1MEN1KMT2A
SCHEMBL8748082 0.84 CYP19A1 (0.47) CYP19A1S100A4PBRM1LMNAMAPT
Hydrochloric Acid SCHEMBL2065539 0.83 CYP19A1 (0.46) CYP19A1S100A4PBRM1LMNAMAPT
SCHEMBL989401 0.83 LMNA (0.43) CYP19A1S100A4PBRM1LMNAMAPT
SCHEMBL31285573 0.81 CYP19A1 (0.47) CYP19A1S100A4PBRM1LMNAMAPT
SCHEMBL20026913 0.81 CYP19A1 (0.47) CYP19A1S100A4PBRM1LMNAMAPT
SCHEMBL20165977 0.78 CYP19A1 (0.59) CYP19A1
SCHEMBL2381366 0.78 CYP19A1 (0.59) CYP19A1
SCHEMBL10233658 0.77 CYP19A1 (0.43) CYP19A1S100A4PBRM1LMNAMAPT
SCHEMBL10365777 0.77 CYP19A1 (0.35) CYP19A1

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-9809545-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-07 US disclosed
EP-2978425-B1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME (US) 2017-09-27 EP disclosed
US-20160046581-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2016-02-18 US disclosed
EP-2978425-A2 FACTOR XIa INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-02-03 EP disclosed
WO-2014160592-A2 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-10-02 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-20160046581-A1 Factor XIa Inhibitors F11, F12, TFPI CYP19A1 614/4885S100A4 2116/4885PBRM1 4249/4885

“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.