SCHEMBL12823007

SCHEMBL12823007

CCCC(O)C1CCC(c2ccc(C3CCC(OCc4ccc(O)c(F)c4F)CC3)c(F)c2F)CC1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ HTR1A P08908 1/20 0.30
▸ ACACB O00763 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
SCHEMBL12823219 1.00 KDM4E (0.31) KDM4EL3MBTL1HTR1AACACB
SCHEMBL12823218 0.90 — —
SCHEMBL12821331 0.89 GPR119 (0.35) HTR1A
SCHEMBL12719259 0.89 NAAA (0.33) ACACB
SCHEMBL12823356 0.89 NAAA (0.33) ACACB
SCHEMBL13586568 0.88 HTR1A (0.31) HTR1A
SCHEMBL10303351 0.87 ADRA2A (0.32) KDM4EL3MBTL1
SCHEMBL12223987 0.87 ADRA2A (0.32) KDM4EL3MBTL1
SCHEMBL12823016 0.87 GPR119 (0.32) HTR1A
SCHEMBL12223915 0.85 KDM4E (0.39) KDM4EL3MBTL1HTR1AACACB

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 KDM4E 2690/4885L3MBTL1 202/4885HTR1A 484/4885

“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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