SCHEMBL13636540

SCHEMBL13636540

CCCc1ccc(-c2ccc(C(F)(F)Oc3cc(F)cc(F)c3)c(F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 12/20 0.43
RARB P10826 2/20 0.37
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
RARA P10276 1/20 0.37
RARG P13631 1/20 0.37
TAAR1 Q96RJ0 1/20 0.35
MCL1 Q07820 1/20 0.35
MAOB P27338 2/20 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
SCHEMBL14227481 0.90 KIF11 (0.43) KIF11RARBCYP11B1CYP11B2RARA
SCHEMBL16186368 0.87 KIF11 (0.43) KIF11RARBCYP11B1CYP11B2RARA
SCHEMBL14226535 0.86 KIF11 (0.40) KIF11RARBCYP11B1CYP11B2RARA
SCHEMBL19711845 0.86 KIF11 (0.40) KIF11RARBCYP11B1CYP11B2RARA
SCHEMBL16215315 0.86 KIF11 (0.42) KIF11RARBCYP11B1CYP11B2RARA
SCHEMBL15744314 0.86 RARB (0.35) KIF11RARBCYP11B1RARARARG
SCHEMBL15744566 0.85 KIF11 (0.39) KIF11RARBCYP11B1CYP11B2RARA
SCHEMBL15744826 0.85 KIF11 (0.39) KIF11RARBCYP11B1CYP11B2RARA
SCHEMBL14226537 0.85 KIF11 (0.39) KIF11RARBCYP11B1CYP11B2RARA
SCHEMBL15745210 0.85 KIF11 (0.41) KIF11RARBCYP11B1CYP11B2RARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120313041-A1 FOUR-RING COMPOUND HAVING A PLURALITY OF CF2O BONDING GROUPS, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-12-13 US disclosed
US-20120313041-A1 FOUR-RING COMPOUND HAVING A PLURALITY OF CF2O BONDING GROUPS, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-12-13 US disclosed
EP-2123623-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2009-11-25 EP 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-20120313041-A1 FOUR-RING COMPOUND HAVING A PLURALITY OF CF2O BONDING GROUPS, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE OCIAD2, OCIAD1, POU2F2 KIF11 589/4885RARB 2789/4885CYP11B1 4554/4885

“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.