SCHEMBL12822883

SCHEMBL12822883

CCCC(O)c1ccc(-c2ccc(C3CCC(C(=O)Oc4ccc(C5CO5)cc4F)CC3)c(F)c2F)cc1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ 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 1/20 0.31
▸ FPR2 P25090 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
SCHEMBL13586574 0.94 PDE4A (0.32) PDE4APDE4BPDE4CPDE4DAPP
SCHEMBL13586632 0.90 APP (0.35) APP
SCHEMBL12823346 0.90 PDE4A (0.33) PDE4APDE4BPDE4CPDE4D
SCHEMBL13586577 0.89 APP (0.33) PDE4APDE4BPDE4CPDE4DAPP
SCHEMBL12823929 0.88 PDE4A (0.32) PDE4APDE4BPDE4CPDE4DAPP
SCHEMBL12823925 0.87 MPL (0.33) FPR2
SCHEMBL13586633 0.87 ALOX5AP (0.33) FPR2
SCHEMBL12823419 0.86 KDM4E (0.31) APP
SCHEMBL12836560 0.85 FPR2 (0.31) FPR2
SCHEMBL12822666 0.84 KMT2A (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 2 patents. 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
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — WO 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 PDE4A 3366/4885PDE4B 2984/4885PDE4C 3447/4885

“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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