SCHEMBL12823180

SCHEMBL12823180

CCCC(O)c1ccc(-c2ccc(C3CCC(OCc4ccc(O)cc4F)CC3)c(F)c2F)cc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.33
▸ NAAA Q02083 4/20 0.33
▸ PDE4A P27815 2/20 0.32
▸ PDE4B Q07343 2/20 0.32
▸ PDE4C Q08493 2/20 0.32
▸ PDE4D Q08499 2/20 0.32
▸ APP P05067 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ GRIN2B Q13224 4/20 0.31
▸ GRIN1 Q05586 3/20 0.31

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
SCHEMBL12821203 0.93 PDE4A (0.32) ESR1PDE4APDE4BPDE4CPDE4D
SCHEMBL12823496 0.90 PTGS2 (0.35) ESR1NAAAAPP
SCHEMBL12823044 0.88 PDE4A (0.30) PDE4APDE4BPDE4CPDE4D
SCHEMBL12823491 0.88 PDE4A (0.30) PDE4APDE4BPDE4CPDE4D
SCHEMBL12718722 0.88 PDE4A (0.32) NAAAPDE4APDE4BPDE4CPDE4D
SCHEMBL12822601 0.86 ESR1 (0.31) ESR1GRIN2B
SCHEMBL12718812 0.85 NAAA (0.34) ESR1NAAAPDE4APDE4BPDE4C
SCHEMBL12822705 0.85 NAAA (0.34) ESR1NAAAPDE4APDE4BPDE4C
SCHEMBL10303254 0.85 PDE4D (0.35) NAAAPDE4APDE4BPDE4CPDE4D
SCHEMBL12823116 0.85 GRIN2B (0.32) NAAAPDE4APDE4BPDE4CPDE4D

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 1665/4885NAAA 3997/4885PDE4A 3366/4885

“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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