SCHEMBL3468353

SCHEMBL3468353

Oc1cccc(C(=C2CCCCCC2)c2ccc(Br)c(F)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
HSD17B1 P14061 2/20 0.35
HSD17B2 P37059 2/20 0.35
SLC2A1 P11166 1/20 0.35
SLC2A4 P14672 1/20 0.35
KDM4E B2RXH2 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA6 P23280 1/20 0.33
CA9 Q16790 1/20 0.33
ESR1 P03372 3/20 0.33
PGR P06401 1/20 0.33
CHRM2 P08172 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
AR P10275 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33

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
SCHEMBL3468363 0.87 ESR1 (0.41) ALDH1A1MAPTESR1PGRCHRM2
SCHEMBL3469110 0.82 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EEGLN2CA12
SCHEMBL3468262 0.76 HSD17B1 (0.57) ALDH1A1HSD17B1HSD17B2SLC2A1SLC2A4
SCHEMBL3468460 0.75 MIF (0.54) HSD17B1HSD17B2SLC2A1SLC2A4CA12
SCHEMBL3468457 0.75 MIF (0.54) HSD17B1HSD17B2SLC2A1SLC2A4CA12
SCHEMBL9847163 0.73 SLC6A4 (0.36) ALDH1A1MAPTESR1PGRCHRM2
SCHEMBL3467959 0.72 ESR1 (0.38) HSD17B1KDM4EESR1PGRCHRM2
SCHEMBL3468456 0.72 ESR1 (0.38) HSD17B1KDM4EESR1PGRCHRM2
SCHEMBL4257489 0.72 CA12 (0.33) MAPTHSD17B1HSD17B2SLC2A1SLC2A4
SCHEMBL4257498 0.71 CA12 (0.33) MAPTHSD17B1HSD17B2SLC2A1SLC2A4

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 ALDH1A1 1585/4885MAPT 4523/4885HSD17B1 155/4885
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor ESR2, GPER1, ESRRG ALDH1A1 1585/4885MAPT 4523/4885HSD17B1 155/4885
US-20070213348-A1 Chemical Compounds GPER1, ESR2, ESR1 ALDH1A1 1064/4885MAPT 3451/4885HSD17B1 147/4885

“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.