SCHEMBL5378625

SCHEMBL5378625

CCC1C(c2ccc(O)cc2)=C(c2ccc(OC)cc2)CC(CO)C1C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 5/20 0.42
MIF P14174 2/20 0.37
APP P05067 2/20 0.37
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
ESR1 P03372 6/20 0.36
LTA4H P09960 1/20 0.36
CALM1 P0DP23 1/20 0.35
NOX1 Q9Y5S8 1/20 0.34
ABL1 P00519 1/20 0.33
ABCB1 P08183 1/20 0.33
BCR P11274 1/20 0.33
PDE5A O76074 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
SCHEMBL5386267 0.81 ESR1 (0.53) ESR2ESR1
SCHEMBL5380495 0.74 ESR2 (0.44) ESR2MIFAPP
Mequinol SCHEMBL10605062 0.66 ESR2 (0.70) ESR2APPESR1LTA4HCALM1
SCHEMBL5382273 0.64 HTR2C (0.43) ESR2MAOAMAOBLTA4HCALM1
SCHEMBL1341494 0.64 ESR2 (1.00) ESR2APPESR1LTA4HCALM1
SCHEMBL15599404 0.64 ESR2 (1.00) ESR2APPESR1LTA4HCALM1
Mequinol SCHEMBL28122193 0.62 LTA4H (0.64) ESR2APPESR1LTA4HCALM1
Mequinol SCHEMBL481721 0.62 LTA4H (0.70) ESR2APPESR1LTA4HCALM1
SCHEMBL28162733 0.62 ESR2 (0.95) ESR2APPESR1LTA4HCALM1
Mequinol SCHEMBL21009 0.62

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 7 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-20070142379-A1 CYCLOHEXYL DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS JAIN NARESHKUMAR F 2007-06-21 US disclosed
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
US-7183445-B2 Cyclohexyl derivatives as selective estrogen receptor modulators JANSSEN PHARMACEUTICA N.V (BE) 2007-02-27 US disclosed
US-7183445-B2 Cyclohexyl derivatives as selective estrogen receptor modulators JANSSEN PHARMACEUTICA N.V (BE) 2007-02-27 US disclosed
US-20050009799-A1 Cyclohexyl derivatives as selective estrogen receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-13 US 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 ESR2 1/4885MIF 3775/4885APP 2950/4885
US-20070142379-A1 CYCLOHEXYL DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS ESR2, GPER1, ESR1 ESR2 1/4885MIF 3775/4885APP 2950/4885

“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.