SCHEMBL3468486

SCHEMBL3468486

COC(=O)c1ccc(C(=O)c2ccc(OC)c(F)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.63
HTT P42858 2/20 0.63
RAB9A P51151 2/20 0.63
MAPK1 P28482 2/20 0.63
ACHE P22303 1/20 0.58
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
TSHR P16473 1/20 0.56
ALDH1A1 P00352 4/20 0.53
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 3/20 0.51
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
HPGD P15428 2/20 0.49
CYP2D6 P10635 1/20 0.49

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
SCHEMBL1988161 0.90 HTT (0.71) LMNAHTTRAB9AMAPK1ACHE
SCHEMBL28217099 0.90 HTT (0.76) LMNAHTTRAB9AMAPK1ACHE
SCHEMBL11115156 0.87 HTT (0.67) LMNAHTTRAB9AMAPK1ACHE
SCHEMBL6441737 0.85 ALDH1A1 (0.73) LMNAHTTRAB9AMAPK1ACHE
SCHEMBL6131922 0.85 ACHE (0.71) LMNAHTTRAB9AMAPK1ACHE
SCHEMBL4529606 0.85 CYP1A2 (0.79) LMNAHTTRAB9AACHECYP1A2
SCHEMBL3468365 0.84 HTT (0.63) LMNAHTTRAB9AMAPK1ACHE
SCHEMBL31164291 0.84 HTT (0.63) LMNAHTTRAB9AMAPK1ACHE
SCHEMBL3468564 0.82 CA1 (0.56) LMNAHTTRAB9AMAPK1ACHE
SCHEMBL4817872 0.81 HTT (0.63) LMNAHTTRAB9AMAPK1ACHE

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 LMNA 4708/4885HTT 4595/4885RAB9A 3719/4885
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor ESR2, GPER1, ESRRG LMNA 4708/4885HTT 4595/4885RAB9A 3719/4885
US-20070213348-A1 Chemical Compounds GPER1, ESR2, ESR1 LMNA 4504/4885HTT 3599/4885RAB9A 2618/4885

“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.