SCHEMBL12823487

SCHEMBL12823487

CCOc1ccc(C2CCC(OC(=O)c3ccc(-c4ccc(OC)cc4)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPS1 P31327 2/20 0.41
NAAA Q02083 1/20 0.41
FFAR4 Q5NUL3 4/20 0.39
FFAR1 O14842 2/20 0.39
CAMKK1 Q8N5S9 2/20 0.39
CAMKK2 Q96RR4 2/20 0.39
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
RCE1 Q9Y256 1/20 0.36
DHODH Q02127 1/20 0.35
PRKAB2 O43741 1/20 0.35

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
SCHEMBL14766060 0.95 FFAR4 (0.43) CPS1FFAR4FFAR1CAMKK1CAMKK2
SCHEMBL12821340 0.93 NAAA (0.44) CPS1NAAAKDM4ECYP2C19CYP1A2
SCHEMBL12737859 0.93 FFAR4 (0.39) CPS1FFAR4FFAR1CAMKK1CAMKK2
SCHEMBL12719765 0.93 NAAA (0.45) CPS1NAAAFFAR4FFAR1CAMKK1
SCHEMBL12737892 0.93 FFAR4 (0.39) CPS1FFAR4FFAR1CAMKK1CAMKK2
SCHEMBL12737878 0.92 FFAR4 (0.38) CPS1FFAR4FFAR1CAMKK1CAMKK2
SCHEMBL14766505 0.91 FFAR4 (0.46) CPS1FFAR4FFAR1CAMKK1CAMKK2
SCHEMBL12737860 0.91 NAAA (0.39) CPS1NAAAFFAR4FFAR1KDM4E
SCHEMBL12737881 0.90 FFAR4 (0.40) CPS1FFAR4FFAR1CAMKK1CAMKK2
SCHEMBL12737867 0.89 FFAR4 (0.37) CPS1NAAAFFAR4FFAR1CAMKK1

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-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
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 CPS1 4819/4885NAAA 3997/4885FFAR4 546/4885

“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.