SCHEMBL3467964

SCHEMBL3467964

O=C(c1ccc(Br)cc1)c1ccc(O)c(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.47
HPGD P15428 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 2/20 0.43
KMT2A Q03164 5/20 0.42
CES2 O00748 2/20 0.42
CES1 P23141 1/20 0.42
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 2/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 4/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 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
SCHEMBL28346328 0.85 LIG1 (0.53) HPGDLMNAKMT2AMAPTMAPK1
SCHEMBL11212084 0.80 CES2 (0.44) HPGDCYP1A2CYP2C9ALOX15CASP1
SCHEMBL3468344 0.77 HPGD (0.62) AKR1C3HPGDCYP1A2CYP2C9ALOX15
SCHEMBL3467787 0.75 MAPT (0.49) AKR1C3HPGDCYP1A2CYP2C9ALOX15
SCHEMBL7688050 0.74 AKR1C3 (0.46) AKR1C3HPGDCYP1A2CYP2C9ALOX15
SCHEMBL2989871 0.74 HPGD (0.47) AKR1C3HPGDCYP1A2CYP2C9ALOX15
SCHEMBL17193968 0.74 CYP1A2 (0.67) HPGDCYP1A2CYP2C9ALOX15CASP1
SCHEMBL3469362 0.74 CASP3 (0.54) AKR1C3HPGDLMNAKMT2AMAPT
SCHEMBL30494732 0.74 CYP1A2 (0.67) HPGDCYP1A2CYP2C9ALOX15CASP1
SCHEMBL9851868 0.73 CES2 (0.59) HPGDCYP1A2CYP2C9ALOX15CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799828-B2 Cycloalkylidene compounds as modulators of estrogen receptor GLAXOSMITHKLINE LLC (US) 2010-09-21 US disclosed
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor GLAXOSMITHKLINE LLC 2009-10-08 US disclosed
US-7569601-B2 Cycloalkylidene compounds as modulators of estrogen receptor SMITHKLINE BEECHAM CORPORATION (US) 2009-08-04 US disclosed
US-7560589-B2 Cycloalkylidene compounds as modulators of estrogen receptor SMITHKLINE BEECHAM CORPORATION (US) 2009-07-14 US disclosed
US-20070213348-A1 Chemical Compounds BRITTON JONATHAN E 2007-09-13 US disclosed
US-20070155839-A1 Cycloalkylidene compounds as modulators of estrogen receptor SMITHKLINE BEECHAM CORPORATION 2007-07-05 US disclosed
EP-1667955-A2 CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF THE ESTROGEN RECEPTOR SmithKline Beecham Corporation (US) 2006-06-14 EP disclosed
WO-2005012220-A9 CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF ESTROGEN RECEPTOR SMITHKLINE BEECHAM CORP (US) 2005-05-19 WO disclosed
WO-2005012220-A2 CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF ESTROGEN RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 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 (3 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-20070155839-A1 Cycloalkylidene compounds as modulators of estrogen receptor ESR2, GPER1, ESRRG AKR1C3 519/4885HPGD 532/4885CYP1A2 1024/4885
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor ESR2, GPER1, ESRRG AKR1C3 519/4885HPGD 532/4885CYP1A2 1024/4885
US-20070213348-A1 Chemical Compounds GPER1, ESR2, ESR1 AKR1C3 713/4885HPGD 633/4885CYP1A2 454/4885

“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.