SCHEMBL12733952

SCHEMBL12733952

C=Cc1ccc(-c2ccc(C3CCC(c4ccc(OCC)cc4F)CC3)c(F)c2F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.36
FFAR1 O14842 3/20 0.36
CAMKK1 Q8N5S9 2/20 0.33
CAMKK2 Q96RR4 2/20 0.33
ALOX5AP P20292 3/20 0.32
FEN1 P39748 3/20 0.32
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 0.31
DHODH Q02127 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
PTGS2 P35354 1/20 0.31
FPR2 P25090 1/20 0.31
PPARD Q03181 1/20 0.31
HMOX1 P09601 2/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 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
SCHEMBL14765686 0.90 FFAR4 (0.44) FFAR4FFAR1CAMKK1CAMKK2ALOX5AP
SCHEMBL12736184 0.89 FFAR1 (0.35) FFAR4FFAR1PPARD
SCHEMBL12740359 0.89 NAAA (0.36) FFAR4FFAR1CAMKK1CAMKK2ALOX5AP
SCHEMBL12736835 0.89 FFAR4 (0.33) FFAR4FFAR1CAMKK1CAMKK2
SCHEMBL12740785 0.89 FFAR1 (0.38) FFAR4FFAR1PPARD
SCHEMBL12739906 0.89 FFAR4 (0.32) FFAR4FFAR1
SCHEMBL14765702 0.88 FFAR4 (0.38) FFAR4FFAR1CAMKK1CAMKK2PPARD
SCHEMBL12733953 0.88 FFAR4 (0.36) FFAR4FFAR1CAMKK1CAMKK2ALOX5AP
SCHEMBL12716432 0.88 FFAR4 (0.32) FFAR4FFAR1CAMKK1CAMKK2HMOX1
SCHEMBL12739291 0.88 FFAR4 (0.32) FFAR4FFAR1CAMKK1CAMKK2HMOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed
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
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

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 FFAR4 546/4885FFAR1 247/4885CAMKK1 1995/4885

“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.