SCHEMBL12823935

SCHEMBL12823935

CCCC(O)c1ccc(-c2ccc(C3CCC(OC(=O)c4ccc(O)cc4F)CC3)c(F)c2F)cc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.34
NAAA Q02083 2/20 0.31
APP P05067 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CHRNA7 P36544 1/20 0.31
GRIN1 Q05586 2/20 0.30
GRIN2B Q13224 2/20 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
SCHEMBL12823524 0.93 TYR (0.34) TYRAPPCYP3A4CYP2C9CYP2C19
SCHEMBL12823932 0.90 CPS1 (0.36) NAAAAPP
SCHEMBL12822737 0.88
SCHEMBL12823300 0.88
SCHEMBL13586437 0.88 APP (0.31) APP
SCHEMBL12822684 0.85 ACACB (0.33)
SCHEMBL12823649 0.85 SERPINE1 (0.34) TYRAPPGRIN1GRIN2B
SCHEMBL12823926 0.85 PDE4A (0.31)
SCHEMBL12719389 0.85 ACACB (0.33) NAAA
SCHEMBL12719399 0.85 CRBN (0.34) NAAA

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 1 patent. 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

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 TYR 2047/4885NAAA 3997/4885APP 2200/4885

“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.