SCHEMBL12822940

SCHEMBL12822940

CCCc1ccc(-c2ccc(CCc3ccc(-c4ccc(C5CO5)cc4F)cc3)c(F)c2F)cc1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.36
MPL P40238 1/20 0.35
CHKA P35790 2/20 0.33
HTR2A P28223 1/20 0.32
GRM2 Q14416 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31

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
SCHEMBL12994311 0.95 RARB (0.37) RARBMPLCHKAHTR2AGRM2
SCHEMBL13586291 0.93 RARB (0.34) RARBCHKAHTR2AGRM2FFAR4
SCHEMBL13586246 0.93 MPL (0.36) RARBMPLCHKAHTR2AFFAR4
SCHEMBL13654112 0.91 RARB (0.37) RARBCHKAHTR2AGRM2FFAR4
SCHEMBL13586206 0.88 MAOB (0.36) GRM2FFAR4
SCHEMBL12822641 0.88 FFAR4 (0.43) FFAR4
SCHEMBL13586179 0.87 CHKA (0.31) CHKAHTR2AGRM2
SCHEMBL13586178 0.87 RARB (0.33) RARBHTR2AGRM2
SCHEMBL12718526 0.86 APP (0.36) RARBCHKAHTR2AGRM2FFAR4
SCHEMBL13586217 0.86 FFAR4 (0.34) RARBMPLCHKAHTR2AGRM2

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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 US disclosed
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 WO 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 RARB 2705/4885MPL 4673/4885CHKA 1684/4885

“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.