SCHEMBL5386288

SCHEMBL5386288

C=C(C(=C)c1ccc(OCc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.68
NR4A2 P43354 1/20 0.68
NR4A3 Q92570 1/20 0.68
LMNA P02545 1/20 0.66
CYP1A2 P05177 1/20 0.66
PTGS1 P23219 1/20 0.66
SLC6A2 P23975 1/20 0.66
CYP2C19 P33261 1/20 0.66
PTGS2 P35354 1/20 0.66
SLC6A3 Q01959 1/20 0.66
HIF1A Q16665 1/20 0.66
HDAC6 Q9UBN7 1/20 0.66
MAOB P27338 4/20 0.64
PARP10 Q53GL7 1/20 0.64
SRD5A2 P31213 1/20 0.62
PLA2G4B P0C869 1/20 0.58
RAB9A P51151 2/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
MAOA P21397 1/20 0.58

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
SCHEMBL15596323 0.90 MAOB (0.66) NR4A1NR4A2NR4A3LMNACYP1A2
SCHEMBL4602806 0.85 MAOB (0.70) NR4A1NR4A2NR4A3LMNACYP1A2
SCHEMBL5378418 0.85 NR4A1 (0.64) NR4A1NR4A2NR4A3LMNACYP1A2
SCHEMBL1069504 0.84 MAOB (0.63) NR4A1NR4A2NR4A3MAOBPARP10
SCHEMBL521489 0.84 NR4A1 (0.72) NR4A1NR4A2NR4A3LMNACYP1A2
SCHEMBL16795721 0.84 NR4A1 (0.62) NR4A1NR4A2NR4A3LMNACYP1A2
SCHEMBL339813 0.83 LMNA (0.82) NR4A1NR4A2NR4A3LMNACYP1A2
SCHEMBL1092594 0.82 NR4A1 (0.70) NR4A1NR4A2NR4A3LMNACYP1A2
SCHEMBL5383753 0.82 NR4A1 (0.60) NR4A1NR4A2NR4A3LMNACYP1A2
SCHEMBL19157998 0.82 MAOB (0.61) NR4A1NR4A2NR4A3LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070142379-A1 CYCLOHEXYL DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS JAIN NARESHKUMAR F 2007-06-21 US disclosed
US-7183445-B2 Cyclohexyl derivatives as selective estrogen receptor modulators JANSSEN PHARMACEUTICA N.V (BE) 2007-02-27 US disclosed
EP-1633692-A2 CYCLOHEXYL DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-15 EP disclosed
US-20050009799-A1 Cyclohexyl derivatives as selective estrogen receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-13 US disclosed
WO-2005000775-A2 CYCLOHEXYL DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-01-06 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-20050009799-A1 Cyclohexyl derivatives as selective estrogen receptor modulators ESR2, GPER1, ESR1 NR4A1 47/4885NR4A2 30/4885NR4A3 32/4885
US-20070142379-A1 CYCLOHEXYL DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS ESR2, GPER1, ESR1 NR4A1 47/4885NR4A2 30/4885NR4A3 32/4885

“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.