SCHEMBL12821293

SCHEMBL12821293

CC(O)C1CCC(c2ccc(OCc3ccc(-c4ccc(C5CO5)c(F)c4F)cc3)c(F)c2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FEN1 P39748 14/20 0.36
▸ ALOX5AP P20292 11/20 0.36
▸ SLC6A2 P23975 3/20 0.33
▸ SLC6A4 P31645 3/20 0.33
▸ SLC6A3 Q01959 3/20 0.33
▸ HTR1A P08908 2/20 0.33
▸ FPR2 P25090 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ FFAR1 O14842 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
SCHEMBL12822960 1.00 FEN1 (0.36) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL12822913 0.90 FEN1 (0.34) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL13586281 0.90 FEN1 (0.34) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL12716728 0.89 SLC6A2 (0.34) FEN1SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL13586415 0.88 FEN1 (0.34) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL12716828 0.88 FEN1 (0.35) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL12822999 0.88 FEN1 (0.35) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL12822361 0.87 FEN1 (0.37) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL12821296 0.87 FEN1 (0.37) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL12821750 0.86 FEN1 (0.35) FEN1ALOX5APSLC6A2SLC6A4SLC6A3

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 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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