SCHEMBL12822600

SCHEMBL12822600

C=CCCCOc1ccc(C(=O)OC2CCC(c3ccc(C4CCC(C(O)CCC)CC4)c(F)c3F)CC2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ IDO1 P14902 1/20 0.32
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 1/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ SCN9A Q15858 1/20 0.31
▸ KCNQ3 O43525 1/20 0.31
▸ KCNQ2 O43526 1/20 0.31
▸ GABRA1 P14867 1/20 0.30
▸ GABRB2 P47870 1/20 0.30
▸ L3MBTL1 Q9Y468 2/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL12823631 0.97 IDO1 (0.32) THRATHRBIDO1TAS1R3TAS1R1
SCHEMBL13586510 0.90 KCNQ3 (0.39) THRATHRBIDO1TAS1R3TAS1R1
SCHEMBL12823462 0.88 SCN9A (0.31) KMT2ASCN9A
SCHEMBL12823945 0.88 FFAR4 (0.31) THRATHRBSCN9AL3MBTL1ALDH1A1
SCHEMBL12823492 0.88 GRM2 (0.32) IDO1SCN9A
SCHEMBL12822724 0.88 GRM2 (0.32) IDO1SCN9A
SCHEMBL14767022 0.87 THRA (0.38) THRATHRBKMT2ASCN9AKCNQ3
SCHEMBL12823872 0.87 IDO1 (0.32) IDO1KMT2AKCNQ3KCNQ2
SCHEMBL12822490 0.87 S1PR1 (0.33) THRATHRBIDO1SCN9AGABRA1
SCHEMBL12741160 0.86 KDM4E (0.34) THRATHRBKMT2ASCN9AL3MBTL1

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 THRA 1972/4885THRB 2847/4885IDO1 1869/4885

“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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