SCHEMBL12624976

SCHEMBL12624976

C=CCCc1ccc(-c2ccc(-c3ccc(C(F)(F)Oc4ccc(-c5ccc(F)c(F)c5)c(F)c4)c(F)c3)c(F)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
GRM2 Q14416 1/20 0.33
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
CYP17A1 P05093 1/20 0.32

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
SCHEMBL12623154 0.94 KIF11 (0.36) KIF11ALOX5APFEN1CYP11B1CYP11B2
SCHEMBL12624972 0.93 KIF11 (0.35) KIF11ALOX5APFEN1GRM2CYP11B1
SCHEMBL12625719 0.91 KIF11 (0.36) KIF11ALOX5APFEN1GRM2CYP11B1
SCHEMBL12625720 0.91 ALOX5AP (0.36) ALOX5APFEN1GRM2CYP11B1CYP11B2
SCHEMBL12625732 0.90 KIF11 (0.36) KIF11ALOX5APFEN1CYP11B1CYP11B2
SCHEMBL12623973 0.89 ALOX5AP (0.36) ALOX5APFEN1GRM2CYP11B1CYP11B2
SCHEMBL12623992 0.89 KIF11 (0.35) KIF11ALOX5APFEN1GRM2CYP11B1
SCHEMBL18310537 0.88 ALOX5AP (0.34) KIF11ALOX5APFEN1GRM2
SCHEMBL12623939 0.88 RARB (0.41) KIF11ALOX5APFEN1GRM2CYP11B1
SCHEMBL12625725 0.88 KIF11 (0.34) KIF11ALOX5APFEN1GRM2CYP11B1

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-7951433-B2 Five-ring liquid crystal compound having CF2O bonding group, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2011-05-31 US disclosed
US-20100127211-A1 FIVE-RING LIQUID CRYSTAL COMPOUND HAVING CF20 BONDING GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-05-27 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-20100127211-A1 FIVE-RING LIQUID CRYSTAL COMPOUND HAVING CF20 BONDING GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CFAP20, KIF20A, KIF20B KIF11 157/4885ALOX5AP 403/4885FEN1 2243/4885

“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.