SCHEMBL3084800

SCHEMBL3084800

Brc1ccc(C(=C2CCCCCC2)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.47
CHRM1 P11229 2/20 0.47
SETD7 Q8WTS6 1/20 0.47
LMNA P02545 1/20 0.47
CYP2D6 P10635 1/20 0.47
CHRM3 P20309 1/20 0.47
HTR2A P28223 1/20 0.47
HRH1 P35367 1/20 0.47
HTR2B P41595 1/20 0.47
CHRNA4 P43681 1/20 0.47
HTR3A P46098 1/20 0.47
KCNH2 Q12809 1/20 0.47
ESR1 P03372 2/20 0.45
PGR P06401 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
AR P10275 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
OGG1 O15527 1/20 0.40
PSMB1 P20618 2/20 0.40

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
SCHEMBL180560 0.88 CHRM2 (0.57) CHRM2CHRM1SETD7LMNACYP2D6
SCHEMBL3468339 0.85 ALOX15 (0.50) CHRM2CHRM1ESR1PGRADORA3
SCHEMBL3467561 0.85 ALOX15 (0.50) CHRM2CHRM1ESR1PGRADORA3
SCHEMBL3468461 0.85 ALOX15 (0.50) CHRM2CHRM1ESR1PGRADORA3
SCHEMBL3469110 0.83 ALDH1A1 (0.44) CHRM2CHRM1ESR1PGRADORA3
SCHEMBL3468390 0.82 ALOX15 (0.52) CHRM2CHRM1ESR1PGRADORA3
SCHEMBL3469070 0.78 OPRM1 (0.50) CHRM2CHRM1LMNACHRNA4ESR1
SCHEMBL19100721 0.78 ESR1 (0.43) CHRM2CHRM1ESR1PGRADORA3
SCHEMBL3468550 0.76 ESR1 (0.42) CHRM2CHRM1ESR1PGRADORA3
SCHEMBL1774131 0.76 SETD7 (0.64) CHRM2CHRM1SETD7LMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261772-A1 Cycloalkylidene Compounds As Selective Estrogen Receptor Modulators FANG JING 2010-10-14 US disclosed
EP-1891026-B1 CYCLOALKYLIDENE COMPOUNDS AS SELECTIVE ESTROGEN RECEPTOR MODULATORS GLAXOSMITHKLINE LLC (US) 2010-07-14 EP disclosed
US-7723393-B2 Cycloalkylidene compounds as selective estrogen receptor modulators GLAXOSMITHKLINE LLC (US) 2010-05-25 US disclosed
US-20080167360-A1 Cycloalkylidene Compounds as Selective Estrogen Receptor Modulators SMITHKLINE BEECHAM CORPORATION 2008-07-10 US disclosed
EP-1891026-A2 CYCLOALKYLIDENE COMPOUNDS AS SELECTIVE ESTROGEN RECEPTOR MODULATORS Smithkline Beecham Corporation (US) 2008-02-27 EP disclosed
WO-2006127871-A2 CYCLOALKYLIDENE COMPOUNDS AS SELECTIVE ESTROGEN RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-30 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 (2 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-20100261772-A1 Cycloalkylidene Compounds As Selective Estrogen Receptor Modulators GPER1, ESR2, ESRRG CHRM2 430/4885CHRM1 587/4885SETD7 4847/4885
US-20080167360-A1 Cycloalkylidene Compounds as Selective Estrogen Receptor Modulators GPER1, ESR2, ESRRG CHRM2 430/4885CHRM1 587/4885SETD7 4847/4885

“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.