SCHEMBL14926653

SCHEMBL14926653

CC1COC(c2ccc(-c3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)OC1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PDE3B Q13370 4/20 0.31
PDE3A Q14432 4/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
APP P05067 1/20 0.30
HTR2A P28223 1/20 0.30
GRM2 Q14416 1/20 0.30
AKR1B10 O60218 1/20 0.30
AKR1C4 P17516 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
AKR1C1 Q04828 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ALOX5AP P20292 2/20 0.30
FEN1 P39748 2/20 0.30

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
SCHEMBL13433617 0.97 CYP11B1 (0.32) CYP11B1CYP11B2
SCHEMBL21919557 0.92 CYP11B1 (0.35) CYP11B1CYP11B2CYP3A4CYP2C9APP
SCHEMBL2741550 0.92 CYP11B1 (0.35) CYP11B1CYP11B2CYP3A4CYP2C9APP
SCHEMBL19303582 0.90 PDE3B (0.39) CYP11B1CYP11B2PDE3BPDE3ACYP3A4
SCHEMBL10013945 0.87 CYP11B1 (0.31) CYP11B1CYP11B2
SCHEMBL17035806 0.87 CYP11B1 (0.34) CYP11B1CYP11B2PDE3BPDE3ACYP3A4
SCHEMBL20083468 0.86 ALOX5AP (0.33) PDE3BPDE3AMEN1KMT2AALOX5AP
SCHEMBL13614388 0.86 PDE3B (0.36) PDE3BPDE3AHTR2AGRM2MEN1
SCHEMBL27323466 0.84 PDE3B (0.40) PDE3BPDE3ACYP3A4CYP2C9APP
SCHEMBL9763685 0.84 CYP11B1 (0.36) CYP11B1CYP11B2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738831-B2 Optically isotropic liquid crystal composition and optical device JNC CORPORATION (JP) 2017-08-22 US disclosed
US-9738831-B2 Optically isotropic liquid crystal composition and optical device JNC CORPORATION (JP) 2017-08-22 US disclosed
US-9175222-B2 Optically isotropic liquid crystal medium and optical device JNC CORPORATION (JP) 2015-11-03 US disclosed
US-20150240159-A1 OPTICALLY ISOTROPIC LIQUID CRYSTAL COMPOSITION AND OPTICAL DEVICE JNC CORPORATION (JP) 2015-08-27 US disclosed
US-20150240159-A1 OPTICALLY ISOTROPIC LIQUID CRYSTAL COMPOSITION AND OPTICAL DEVICE JNC CORPORATION (JP) 2015-08-27 US disclosed
US-8858830-B2 Optically isotropic liquid crystal medium and optical device JNC CORPORATION (JP) 2014-10-14 US disclosed
US-20140132868-A1 OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-05-15 US disclosed
US-20130114009-A1 OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM AND OPTICAL DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2013-05-09 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-20150240159-A1 OPTICALLY ISOTROPIC LIQUID CRYSTAL COMPOSITION AND OPTICAL DEVICE SCO2, CNOT1, LEO1 CYP11B1 1012/4885CYP11B2 1169/4885PDE3B 1674/4885

“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.