SCHEMBL12823568

SCHEMBL12823568

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FEN1 P39748 11/20 0.36
▸ ALOX5AP P20292 8/20 0.36
▸ FFAR4 Q5NUL3 2/20 0.34
▸ SLC6A2 P23975 3/20 0.33
▸ SLC6A4 P31645 3/20 0.33
▸ SLC6A3 Q01959 3/20 0.33
▸ HTR1A P08908 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ FPR2 P25090 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
SCHEMBL12821175 0.94 FEN1 (0.35) FEN1ALOX5APFFAR4SLC6A2SLC6A4
SCHEMBL12822836 0.94 FEN1 (0.35) FEN1ALOX5APFFAR4SLC6A2SLC6A4
SCHEMBL13586281 0.92 FEN1 (0.34) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL12822913 0.92 FEN1 (0.34) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL12823908 0.90 FFAR1 (0.40) FEN1ALOX5APFFAR4FFAR1
SCHEMBL12822363 0.90 FFAR1 (0.40) FFAR1
SCHEMBL12718375 0.90 FFAR4 (0.36) FEN1ALOX5APFFAR4FPR2
SCHEMBL12717013 0.90 GABRA1 (0.34) FEN1ALOX5AP
SCHEMBL12821299 0.90 GABRA1 (0.34) FEN1ALOX5AP
SCHEMBL12823556 0.90 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 1673/4885FFAR4 546/4885

“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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