SCHEMBL13628949

SCHEMBL13628949

Oc1ccc(C2CCC(c3ccc(-c4ccc(F)c(F)c4)cc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 15/20 0.52
ESR1 P03372 6/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
KIF11 P52732 1/20 0.46
KDM1A O60341 1/20 0.44
CYP2D6 P10635 1/20 0.42

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
SCHEMBL13628948 0.86 ESR2 (0.52) ESR2ESR1CYP3A4CYP2C9KIF11
SCHEMBL1513602 0.83 KIF11 (0.61) ESR2ESR1KIF11
SCHEMBL13955970 0.83 ESR2 (0.71) ESR2ESR1CYP3A4CYP2C9KDM1A
SCHEMBL12840849 0.83 ESR2 (0.71) ESR2ESR1CYP3A4CYP2C9KDM1A
SCHEMBL12999139 0.83 KDM1A (0.37) CYP3A4CYP2C9KDM1A
SCHEMBL4427660 0.83 ESR2 (0.50) ESR2CYP3A4CYP2C9KDM1ACYP2D6
SCHEMBL19415934 0.83 KDM1A (0.37) CYP3A4CYP2C9KDM1A
SCHEMBL13345617 0.83 KDM1A (0.37) CYP3A4CYP2C9KDM1A
SCHEMBL6837436 0.82 KDM1A (0.63) ESR2ESR1CYP3A4CYP2C9KDM1A
SCHEMBL14525326 0.82 HSP90AA1 (0.46) CYP3A4CYP2C9KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618690-B2 Polymerizable liquid crystal compound, liquid crystal composition, optical anisotropic material and optical element ASAHI GLASS COMPANY, LIMITED (JP) 2009-11-17 US disclosed
US-20080204650-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, OPTICAL ANISOTROPIC MATERIAL AND OPTICAL ELEMENT ASAHI GLASS COMPANY LIMITED (JP) 2008-08-28 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 (1 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-20080204650-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, OPTICAL ANISOTROPIC MATERIAL AND OPTICAL ELEMENT CCNE2, CCNE1, CCNL2 ESR2 206/4885ESR1 117/4885CYP3A4 2101/4885

“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.