SCHEMBL12823312

SCHEMBL12823312

C=CCCOc1ccc(-c2ccc(COc3ccc(C4CCC(C(C)O)CC4)c(F)c3F)cc2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 1/20 0.34
▸ NAAA Q02083 1/20 0.33
▸ ERN1 O75460 1/20 0.33
▸ SLC6A2 P23975 2/20 0.32
▸ SLC6A4 P31645 2/20 0.32
▸ SLC6A3 Q01959 2/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ FFAR4 Q5NUL3 5/20 0.31
▸ FFAR1 O14842 4/20 0.31
▸ PPARD Q03181 2/20 0.31
▸ FEN1 P39748 2/20 0.31
▸ F10 P00742 1/20 0.31
▸ HTR6 P50406 1/20 0.31
▸ CTSA P10619 1/20 0.31

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
SCHEMBL12822767 0.91 ERN1 (0.36) NR1H4NAAAERN1SLC6A2SLC6A4
SCHEMBL12717023 0.90 FEN1 (0.35) SLC6A2SLC6A4SLC6A3HTR1AGABRA1
SCHEMBL12823277 0.90 FEN1 (0.35) SLC6A2SLC6A4SLC6A3HTR1AGABRA1
SCHEMBL12821177 0.90 GABRA1 (0.33) NR1H4NAAAERN1SLC6A2SLC6A4
SCHEMBL12736377 0.88 NAAA (0.36) NR1H4NAAAERN1SLC6A2SLC6A4
SCHEMBL12823319 0.88 FFAR1 (0.38) NR1H4NAAAERN1SLC6A2SLC6A4
SCHEMBL12716976 0.88 S1PR1 (0.33) NR1H4GABRA1GABRB2FFAR4
SCHEMBL14766033 0.88 NAAA (0.41) NR1H4NAAAERN1SLC6A2SLC6A4
SCHEMBL12823085 0.87 FFAR1 (0.36) FFAR4FFAR1PPARDF10
SCHEMBL12823345 0.87 FFAR1 (0.38) FFAR4FFAR1PPARDF10

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 NR1H4 1534/4885NAAA 3997/4885ERN1 1334/4885

“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.

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