SCHEMBL3467995

SCHEMBL3467995

O=C(c1ccc(O)cc1)c1ccc(Br)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.56
MAPT P10636 5/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
PKM P14618 1/20 0.47
HTT P42858 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
POLB P06746 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
LIG1 P18858 1/20 0.44
GAA P10253 3/20 0.44
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL3469362 0.90 CASP3 (0.54) DGAT1MAPTLMNAHPGDESR1
SCHEMBL4214280 0.88 DGAT1 (0.58) DGAT1MAPTLMNAHTTPOLB
SCHEMBL29661365 0.85 MAPT (0.54) MAPTLMNAHPGDESR1ESR2
SCHEMBL3025807 0.85 KMT2A (0.61) DGAT1MAPTLMNAKMT2AGAA
SCHEMBL1128877 0.84 MAPT (0.62) DGAT1MAPTLMNAPOLBKMT2A
SCHEMBL4464312 0.83 DGAT1 (0.70) DGAT1MAPTLMNAHPGDPOLB
SCHEMBL8182510 0.82 CES2 (0.57) MAPTLMNAHPGDESR1ESR2
SCHEMBL10112157 0.81 LMNA (0.58) DGAT1MAPTLMNAPOLBKMT2A
SCHEMBL3468655 0.81 KMT2A (0.63) DGAT1MAPTLMNAHPGDHTT
SCHEMBL5307521 0.81 CES2 (0.55) DGAT1MAPTLMNAHPGDHTT

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 14 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
CN-1856461-A Cycloalkylene compounds as estrogen receptor modulators SMITHKLINE BEECHAM CORP (US) 2006-11-01 CN 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
CN-1067991-C Aminoalkyl subsetd. benzo-heterocyclic compounds HOFFMANN LA ROCHE (CH) 2001-07-04 CN disclosed
US-5856503-A ANTICHOLESTEROL AGENTS HOFFMANN-LA ROCHE INC. (US) 1999-01-05 US disclosed
CN-1161328-A Aminoalkyl subsetd. benzo-heterocyclic compounds HOFFMANN LA ROCHE (CH) 1997-10-08 CN disclosed
EP-0778271-A2 Aminoalkyl-substituted benzo-heterocyclic compounds F. HOFFMANN-LA ROCHE AG (CH) 1997-06-11 EP 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 DGAT1 1433/4885MAPT 4523/4885LMNA 4708/4885
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor ESR2, GPER1, ESRRG DGAT1 1433/4885MAPT 4523/4885LMNA 4708/4885
US-20070213348-A1 Chemical Compounds GPER1, ESR2, ESR1 DGAT1 673/4885MAPT 3451/4885LMNA 4504/4885

“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.