SCHEMBL8519631

SCHEMBL8519631

CC(C)(Br)C(=O)c1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.50
ESR2 Q92731 3/20 0.50
LMNA P02545 2/20 0.50
HPGD P15428 2/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
HTT P42858 1/20 0.50
CA1 P00915 5/20 0.48
CA2 P00918 5/20 0.48
CA12 O43570 4/20 0.48
CA7 P43166 4/20 0.48
CA9 Q16790 4/20 0.48
CA14 Q9ULX7 4/20 0.48
TYR P14679 2/20 0.48
CA3 P07451 1/20 0.48
DRD1 P21728 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA5B Q9Y2D0 1/20 0.48

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
SCHEMBL759623 0.83 ESR1 (0.52) ESR1ESR2LMNAHPGDMAPT
SCHEMBL129749 0.81 ESR1 (0.50) ESR1ESR2LMNAHPGDMAPT
SCHEMBL727083 0.81 CA2 (0.55) LMNAHPGDMAPTPKMHTT
SCHEMBL725519 0.81 CES2 (0.54) LMNAHPGDMAPTHTTCA1
SCHEMBL27946891 0.79 ESR1 (0.48) ESR1ESR2LMNAHPGDMAPT
SCHEMBL4877049 0.79 LMNA (0.44) LMNAHPGDMAPTPKMHTT
SCHEMBL3686660 0.79 ESR1 (0.46) ESR1ESR2LMNAHPGDMAPT
SCHEMBL3443593 0.79 CES2 (0.52) LMNAHPGDMAPTCA1CA2
SCHEMBL2696027 0.79 CES2 (0.52) LMNAMAPTCA1CA2PTPN1
SCHEMBL4877042 0.79 PARP10 (0.48) MAPTCA1CA2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170029356-A1 METHOD FOR MANUFACTURING a-BROMOACETOPHENONE COMPOUND FUJIFILM CORPORATION (JP) 2017-02-02 US disclosed
US-20170029356-A1 METHOD FOR MANUFACTURING a-BROMOACETOPHENONE COMPOUND FUJIFILM CORPORATION (JP) 2017-02-02 US disclosed
EP-0934247-A1 PHOTOINITIATORS Lambson Fine Chemicals Limited (GB) 1999-08-11 EP disclosed
WO-1997049664-A1 PHOTOINITIATORS LAMBSON FINE CHEMICALS LIMITED (GB) 1997-12-31 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-20170029356-A1 METHOD FOR MANUFACTURING a-BROMOACETOPHENONE COMPOUND ACR, BCKDK, BRAP ESR1 2529/4885ESR2 2279/4885LMNA 1200/4885

“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.