SCHEMBL12822893

SCHEMBL12822893

C=CCCOc1ccc(COC2CCC(c3ccc(C4CCC(C(C)O)CC4)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 1/20 0.34
FFAR1 O14842 7/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
ACACB O00763 3/20 0.32
SCN3A Q9NY46 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
HTR2A P28223 1/20 0.30
NAAA Q02083 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL12821333 0.95 GPR119 (0.33) FFAR1MAOAMAOBACACBGPR119
SCHEMBL12718787 0.91 HTR2A (0.34) ACACAFFAR1MAOAMAOBACACB
SCHEMBL12718793 0.90 ACACB (0.31) ACACAFFAR1ACACB
SCHEMBL14766941 0.89 NAAA (0.33) ACACAMAOAMAOBNAAA
SCHEMBL12822717 0.89 ACACA (0.37) ACACAFFAR1MAOAMAOBSCN3A
SCHEMBL12823497 0.88 ACACA (0.34) ACACAMAOAMAOBACACBNAAA
SCHEMBL12740286 0.88 HTR6 (0.32) ACACAMAOAMAOBNAAA
SCHEMBL12823703 0.86 FFAR1 (0.36) ACACAFFAR1MAOAMAOBACACB
SCHEMBL12823459 0.86 ACACB (0.33) ACACB
SCHEMBL14766668 0.86 CRBN (0.33) ACACAFFAR1ACACBHTR2ANAAA

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 ACACA 2882/4885FFAR1 247/4885MAOA 3183/4885

“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.