SCHEMBL12822914

SCHEMBL12822914

CCCC(O)c1ccc(-c2ccc(CCC3CCC(c4ccc(O)c(F)c4)CC3)c(F)c2F)cc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.33
▸ GRIN2B Q13224 1/20 0.31
▸ ESR2 Q92731 1/20 0.30
▸ CYP17A1 P05093 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
SCHEMBL13586544 0.88 KDM1A (0.35) APP
SCHEMBL12821145 0.87 APP (0.31) APP
SCHEMBL12823011 0.86 APP (0.33) APPGRIN2BCYP17A1
SCHEMBL12821259 0.85 — —
SCHEMBL12822934 0.85 — —
SCHEMBL10303055 0.85 CYP2C9 (0.32) ESR2
SCHEMBL12823059 0.84 OPRL1 (0.31) ESR2
SCHEMBL12716700 0.83 — —
SCHEMBL12821171 0.83 PDE4B (0.32) APPGRIN2B
SCHEMBL12716902 0.83 — —

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 APP 2200/4885GRIN2B 1871/4885ESR2 1733/4885

“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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