SCHEMBL3468549

SCHEMBL3468549

COc1ccc(C(=C2CC(C)(C)CC(C)(C)C2)c2ccc(C#N)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.41
TSHR P16473 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP1A2 P05177 1/20 0.41
PTGER4 P35408 1/20 0.40
PTGER2 P43116 1/20 0.40
PTGDR Q13258 1/20 0.40
CYP3A4 P08684 4/20 0.40
CYP2D6 P10635 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
VNN1 O95497 1/20 0.39
MAPT P10636 2/20 0.38
ALOX15 P16050 1/20 0.38
CNR1 P21554 1/20 0.38

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
SCHEMBL3469066 0.84 CA2 (0.48) ALDH1A1KMT2AMAPTGRIN2BPOLB
SCHEMBL13161286 0.81 MMP3 (0.53) SMN1; SMN2POLB
SCHEMBL3468131 0.78 ESR1 (0.51) USP2TSHRSMN1; SMN2CYP2C9CYP1A2
SCHEMBL3467850 0.75 ESR1 (0.40) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL3468296 0.74 LMNA (0.50) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL103904 0.73 MAOB (0.61) TSHRCYP1A2CYP3A4MAOAMAOB
SCHEMBL30757515 0.73 MAOB (0.61) TSHRCYP1A2CYP3A4MAOAMAOB
1,4-Dimethoxybenzene SCHEMBL28617696 0.73 MAOB (0.61) TSHRCYP1A2CYP3A4MAOAMAOB
SCHEMBL30250275 0.71 MAOA (0.59) MAOAMAOBALDH1A1MEN1KMT2A
SCHEMBL3469060 0.71 VNN1 (0.63) SMN1; SMN2CYP3A4MAOAMAOBALDH1A1

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 USP2 1618/4885TSHR 206/4885SMN1; SMN2 4866/4885
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor ESR2, GPER1, ESRRG USP2 1618/4885TSHR 206/4885SMN1; SMN2 4866/4885
US-20070213348-A1 Chemical Compounds GPER1, ESR2, ESR1 USP2 3014/4885TSHR 558/4885SMN1; SMN2 4776/4885

“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.