SCHEMBL12823403

SCHEMBL12823403

CCCC(O)C1CCC(c2ccc(OCc3ccc(-c4ccc(O)cc4F)cc3)c(F)c2F)CC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 2/20 0.35
▸ FFAR1 O14842 3/20 0.33
▸ SLC6A2 P23975 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ SLC6A3 Q01959 2/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ FEN1 P39748 7/20 0.33
▸ ALOX5AP P20292 4/20 0.33
▸ ESR1 P03372 3/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL12823906 0.93 S1PR5 (0.34) ABCB1FFAR1SLC6A2SLC6A4SLC6A3
SCHEMBL12717194 0.91 FFAR1 (0.37) FFAR1SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL12823568 0.89 FEN1 (0.36) FFAR1SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL12822836 0.88 FEN1 (0.35) FFAR1SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL12821175 0.88 FEN1 (0.35) FFAR1SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL12821291 0.87 ALOX5AP (0.36) ABCB1FEN1ALOX5APESR1
SCHEMBL12821301 0.86 SLC6A2 (0.34) ABCB1FFAR1SLC6A2SLC6A4SLC6A3
SCHEMBL12716774 0.85 FFAR1 (0.34) FFAR1F10FEN1FFAR4
SCHEMBL12717508 0.85 FFAR1 (0.34) FFAR1F10FEN1FFAR4
SCHEMBL12823258 0.85 HCAR2 (0.35) ABCB1ESR1FFAR4

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 ABCB1 3521/4885FFAR1 247/4885SLC6A2 3580/4885

“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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