SCHEMBL12823360

SCHEMBL12823360

CCCC(O)c1ccc(-c2ccc(C3CCC(C(=O)Oc4ccc(O)c(F)c4)CC3)c(F)c2F)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.34
▸ GRIN1 Q05586 3/20 0.32
▸ GRIN2B Q13224 3/20 0.32
▸ APP P05067 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ FAAH O00519 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ PTGS2 P35354 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
SCHEMBL13586314 0.89 ACACB (0.37) HPGDFAAHPTGS2
SCHEMBL12823419 0.89 KDM4E (0.31) APPKDM4EHPGDHTTKMT2A
SCHEMBL12823391 0.86 PDE4A (0.31) HPGD
SCHEMBL12823247 0.86 PDE4A (0.31) HPGD
SCHEMBL12823929 0.85 PDE4A (0.32) GRIN1GRIN2BAPPCYP2C19
SCHEMBL12823174 0.85 ACACB (0.31) —
SCHEMBL12823551 0.84 FFAR1 (0.38) —
SCHEMBL12823927 0.84 ACACB (0.31) FAAH
SCHEMBL12823157 0.83 PTGS2 (0.35) HPGDKMT2APTGS2
SCHEMBL12823067 0.83 APP (0.35) APPHPGD

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 ATM 3714/4885GRIN1 1597/4885GRIN2B 1871/4885

“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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