SCHEMBL12822091

SCHEMBL12822091

CCCC(O)c1ccc(-c2ccc(OC(=O)c3ccc(-c4ccc(OCC)c(F)c4F)cc3)c(F)c2F)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.36
▸ MAPT P10636 4/20 0.35
▸ THRB P10828 3/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ ADRB1 P08588 1/20 0.34
▸ ADRB3 P13945 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ LMNA P02545 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
SCHEMBL12821297 0.92 FAAH (0.42) FAAHMAPTTHRBTAS1R3TAS1R1
SCHEMBL12823475 0.90 EGFR (0.32) MAPTTHRBTAS1R3TAS1R1ADRB1
SCHEMBL12823697 0.90 EGFR (0.32) MAPTTHRBTAS1R3TAS1R1ADRB1
SCHEMBL12823944 0.88 KDM4E (0.31) MAPTKMT2AMEN1ADRB1ADRB3
SCHEMBL12823168 0.88 KDM4E (0.31) MAPTKMT2AMEN1ADRB1ADRB3
SCHEMBL12717335 0.88 L3MBTL1 (0.34) MAPTKMT2AMEN1ADRB1ADRB3
SCHEMBL12823949 0.88 L3MBTL1 (0.34) MAPTKMT2AMEN1ADRB1ADRB3
SCHEMBL12823722 0.88 MAPT (0.40) FAAHMAPTTHRBTAS1R3TAS1R1
SCHEMBL12823485 0.87 APP (0.39) MAPTTAS1R3TAS1R1PTGS2ADRB1
SCHEMBL12822961 0.86 KDM4E (0.39) FAAHMAPTTAS1R3TAS1R1LMNA

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 FAAH 725/4885MAPT 1075/4885THRB 2847/4885

“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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