SCHEMBL12822433

SCHEMBL12822433

CCCC(O)C1CCC(c2ccc(-c3ccc(/C=C/c4ccc(O)cc4F)cc3)c(F)c2F)CC1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PELI1 Q96FA3 1/20 0.31
▸ ESR1 P03372 3/20 0.31
▸ NFE2L2 Q16236 1/20 0.31
▸ KCNA3 P22001 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
SCHEMBL12822494 0.93 ESR1 (0.32) PELI1ESR1
SCHEMBL13586597 0.88 FFAR4 (0.33) ESR1
SCHEMBL12822819 0.87 — —
SCHEMBL12821111 0.87 — —
SCHEMBL12718456 0.87 — —
SCHEMBL12823673 0.86 KDM1A (0.33) KCNA3
SCHEMBL12716208 0.84 — —
SCHEMBL12823671 0.84 — —
SCHEMBL12822618 0.84 CYP1A1 (0.30) —
SCHEMBL12718744 0.83 HDAC8 (0.31) —

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 PELI1 1762/4885ESR1 1665/4885NFE2L2 1574/4885

“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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