SCHEMBL12823131

SCHEMBL12823131

CCCC(O)C1CCC(c2ccc(-c3ccc(CCc4ccc(O)c(F)c4)cc3)c(F)c2F)CC1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 2/20 0.32
▸ NUDT1 P36639 1/20 0.32
▸ RARB P10826 1/20 0.30
▸ MPL P40238 1/20 0.30
▸ FFAR4 Q5NUL3 6/20 0.30
▸ ALOX5 P09917 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
SCHEMBL12823065 0.89 FFAR4 (0.32) FFAR4
SCHEMBL12823393 0.89 FFAR4 (0.32) FFAR4
SCHEMBL12823256 0.88 FFAR1 (0.36) FFAR4
SCHEMBL12718399 0.88 BRD4 (0.34) —
SCHEMBL12823721 0.87 FFAR4 (0.37) FFAR4
SCHEMBL12823733 0.87 FFAR4 (0.36) FFAR4
SCHEMBL12822598 0.86 CYP17A1 (0.34) RARB
SCHEMBL12823897 0.86 FFAR1 (0.40) FFAR4
SCHEMBL12823673 0.86 KDM1A (0.33) —
SCHEMBL12823003 0.85 NUDT1 (0.33) BACE1NUDT1

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 BACE1 1340/4885NUDT1 3921/4885RARB 2705/4885

“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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