SCHEMBL12822601

SCHEMBL12822601

CCCC(O)c1ccc(-c2ccc(C3CCC(CCc4ccc(O)cc4F)CC3)c(F)c2F)cc1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 6/20 0.31
▸ ESR2 Q92731 3/20 0.30
▸ GRIN2B Q13224 1/20 0.30
▸ FFAR4 Q5NUL3 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
SCHEMBL12823059 0.93 OPRL1 (0.31) ESR1ESR2
SCHEMBL12718373 0.89 MEN1 (0.34) FFAR4
SCHEMBL12822934 0.87 — —
SCHEMBL12821259 0.87 — —
SCHEMBL13586286 0.87 — —
SCHEMBL12823180 0.86 ESR1 (0.33) ESR1GRIN2B
SCHEMBL12719147 0.84 — —
SCHEMBL12823748 0.84 GRIN2B (0.33) GRIN2B
SCHEMBL12718539 0.84 ACACB (0.32) —
SCHEMBL12718536 0.83 FFAR4 (0.31) FFAR4

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 ESR1 1665/4885ESR2 1733/4885GRIN2B 1871/4885

“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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