SCHEMBL23333353

SCHEMBL23333353

CCCCc1cc(F)c(C#Cc2ccc(N=Nc3ccc(OCCC)cc3)cc2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 11/20 0.41
PPARA Q07869 3/20 0.36
PPARG P37231 1/20 0.36
CYP2C9 P11712 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C19 P33261 1/20 0.36
RARA P10276 1/20 0.35
RARB P10826 1/20 0.35
CHRNA7 P36544 1/20 0.34
CHRNA10 Q9GZZ6 1/20 0.34
CHRNA9 Q9UGM1 1/20 0.34
PPARD Q03181 1/20 0.34

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
SCHEMBL29306133 0.99 ACACB (0.39) ACACBPPARAPPARGCYP2C9CYP1A2
SCHEMBL29306134 0.96 ACACB (0.38) ACACBPPARAPPARGCYP2C9CYP1A2
SCHEMBL23333349 0.96 ACACB (0.40) ACACBPPARAPPARGCYP2C9CYP1A2
SCHEMBL29306142 0.95 MEN1 (0.39) ACACBPPARAPPARGCYP2C9CYP1A2
SCHEMBL29306143 0.94 LMNA (0.38) ACACBPPARAPPARGCYP2C9CYP1A2
SCHEMBL29306138 0.94 ACACB (0.39) ACACBPPARAPPARGCYP2C9CYP1A2
SCHEMBL29306132 0.93 MEN1 (0.39) ACACBCYP1A2
SCHEMBL29306137 0.93 ACACB (0.43) ACACBPPARACYP2C9CHRNA7CHRNA10
SCHEMBL29306139 0.92 ACACB (0.38) ACACBPPARACYP2C9CYP1A2CYP19A1
SCHEMBL23333351 0.91 APP (0.36) ACACBPPARAPPARD

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-20240228878-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION, AS WELL AS LIQUID CRYSTAL DISPLAY ELEMENT, SENSOR, LIQUID CRYSTAL LENS, OPTICAL COMMUNICATION EQUIPMENT, AND ANTENNA EACH USING THE SAME DIC CORPORATION (JP) 2024-07-11 US disclosed
US-20240228878-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION, AS WELL AS LIQUID CRYSTAL DISPLAY ELEMENT, SENSOR, LIQUID CRYSTAL LENS, OPTICAL COMMUNICATION EQUIPMENT, AND ANTENNA EACH USING THE SAME DIC CORPORATION (JP) 2024-07-11 US disclosed
WO-2021085280-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL ELEMENT, SENSOR, LIQUID CRYSTAL LENS, OPTICAL COMMUNICATION DEVICE, AND ANTENNA DIC株式会社 2021-05-06 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-20240228878-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION, AS WELL AS LIQUID CRYSTAL DISPLAY ELEMENT, SENSOR, LIQUID CRYSTAL LENS, OPTICAL COMMUNICATION EQUIPMENT, AND ANTENNA EACH USING THE SAME TTI2, CCT4, CCT2 ACACB 1767/4885PPARA 3873/4885PPARG 3163/4885

“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.