SCHEMBL12823877

SCHEMBL12823877

CCCC(O)C1CCC(c2ccc(C3CCC(OC(=O)c4ccc(O)c(F)c4)CC3)c(F)c2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 1/20 0.38
▸ KMT2A Q03164 3/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ GRIN2B Q13224 5/20 0.34
▸ GRIN1 Q05586 4/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ TYR P14679 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ TAS1R3 Q7RTX0 1/20 0.31

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
SCHEMBL13586510 0.89 KCNQ3 (0.39) KMT2ACYP2D6IDO1TAS1R3TAS1R1
SCHEMBL12822748 0.88 KMT2A (0.33) SERPINE1KMT2AIDO1ALDH1A1HTT
SCHEMBL12823366 0.86 TYR (0.31) SERPINE1TYR
SCHEMBL12823130 0.85 ALOX5AP (0.33) GRIN2BGRIN1ALOX5APFEN1IDO1
SCHEMBL12822789 0.84 TYR (0.32) TYRIDO1
SCHEMBL12823451 0.84 TYR (0.32) TYRIDO1
SCHEMBL12823649 0.84 SERPINE1 (0.34) SERPINE1KMT2ACYP2D6GRIN2BGRIN1
SCHEMBL12822600 0.83 THRA (0.34) KMT2AIDO1ALDH1A1TAS1R3TAS1R1
SCHEMBL12823631 0.83 IDO1 (0.32) KMT2AIDO1TAS1R3TAS1R1
SCHEMBL12823061 0.83 TYR (0.37) SERPINE1TYRCA12CA1CA2

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 SERPINE1 3296/4885KMT2A 1271/4885CYP2D6 3356/4885

“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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