SCHEMBL12823748

SCHEMBL12823748

CCCC(O)c1ccc(-c2ccc(C3CCC(CCc4ccc(O)c(F)c4)CC3)c(F)c2F)cc1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 4/20 0.33
▸ 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
SCHEMBL12718904 0.89 BRD4 (0.32) —
SCHEMBL12822422 0.88 FFAR4 (0.35) —
SCHEMBL12823116 0.86 GRIN2B (0.32) GRIN2BCYP17A1
SCHEMBL12822934 0.85 — —
SCHEMBL12821259 0.85 — —
SCHEMBL12822601 0.84 ESR1 (0.31) GRIN2B
SCHEMBL12718368 0.83 — —
SCHEMBL12823551 0.83 FFAR1 (0.38) —
SCHEMBL12718918 0.83 GABRA1 (0.31) —
SCHEMBL12822397 0.82 CYP17A1 (0.38) GRIN2BCYP17A1

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 GRIN2B 1871/4885CYP17A1 1283/4885

“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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