SCHEMBL12718504

SCHEMBL12718504

CCCC(O)c1ccc(-c2ccc(-c3ccc(CCc4ccc(OCC)c(F)c4)cc3)c(F)c2F)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.42
▸ FFAR4 Q5NUL3 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ PTGS2 P35354 2/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRB2 P47870 1/20 0.34
▸ S1PR1 P21453 3/20 0.34
▸ S1PR3 Q99500 1/20 0.34
▸ CALM1 P0DP23 1/20 0.33
▸ RARB P10826 1/20 0.33

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
SCHEMBL12719262 0.89 FFAR1 (0.43) FAAHMEN1KMT2A
SCHEMBL12718518 0.88 S1PR1 (0.35) FAAHGABRA1GABRB2S1PR1S1PR3
SCHEMBL10303052 0.88 FFAR4 (0.37) FAAHFFAR4MEN1KMT2ANPSR1
SCHEMBL12718841 0.87 S1PR1 (0.34) FAAHGABRA1GABRB2S1PR1S1PR3
SCHEMBL12717002 0.87 FFAR4 (0.35) FAAHFFAR4MEN1KMT2ANPSR1
SCHEMBL13586170 0.87 FFAR4 (0.35) FAAHFFAR4MEN1KMT2ANPSR1
SCHEMBL12823851 0.86 FFAR1 (0.43) FAAHMEN1KMT2A
SCHEMBL10303036 0.86 FFAR4 (0.35) FAAHFFAR4MEN1KMT2ANPSR1
SCHEMBL13586388 0.86 FAAH (0.42) FAAHFFAR4S1PR1
SCHEMBL10303179 0.86 FFAR1 (0.40) FAAHFFAR4PTGS2PTGS1

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
EP-2305627-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2011-04-06 — — EP 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 FAAH 725/4885FFAR4 546/4885MEN1 2496/4885

“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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