SCHEMBL12822836

SCHEMBL12822836

CCCC(O)C1CCC(c2ccc(-c3ccc(COc4ccc(O)c(F)c4F)cc3)c(F)c2F)CC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FEN1 P39748 15/20 0.35
▸ ALOX5AP P20292 12/20 0.35
▸ SLC6A2 P23975 3/20 0.32
▸ SLC6A4 P31645 3/20 0.32
▸ SLC6A3 Q01959 3/20 0.32
▸ HTR1A P08908 2/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.31
▸ FFAR1 O14842 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
SCHEMBL12821175 1.00 FEN1 (0.35) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL12823568 0.94 FEN1 (0.36) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL13586281 0.89 FEN1 (0.34) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL12822913 0.89 FEN1 (0.34) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL12823403 0.88 ABCB1 (0.35) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL12823906 0.88 S1PR5 (0.34) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL12821301 0.87 SLC6A2 (0.34) FEN1SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL12717013 0.87 GABRA1 (0.34) FEN1ALOX5AP
SCHEMBL12823556 0.87 GABRA1 (0.34) FEN1ALOX5AP
SCHEMBL12719502 0.87 GABRA1 (0.34) FEN1ALOX5AP

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 FEN1 3340/4885ALOX5AP 1673/4885SLC6A2 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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