SCHEMBL12823176

SCHEMBL12823176

CCCC(O)C1CCC(c2ccc(C3CCC(CCc4ccc(O)cc4F)CC3)c(F)c2F)CC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 4/20 0.32
▸ HTR2C P28335 4/20 0.32
▸ TYR P14679 3/20 0.32
▸ OPRL1 P41146 5/20 0.31
▸ CHRNA7 P36544 1/20 0.31
▸ FFAR1 O14842 4/20 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
SCHEMBL12823293 0.94 OPRL1 (0.33) TYROPRL1
SCHEMBL12718852 0.87 FFAR1 (0.36) HTR2AHTR2CFFAR1
SCHEMBL12822746 0.85 — —
SCHEMBL12823729 0.85 — —
SCHEMBL12823016 0.84 GPR119 (0.32) TYR
SCHEMBL12821139 0.84 CYP2C9 (0.30) —
SCHEMBL12823733 0.84 FFAR4 (0.36) —
SCHEMBL12822601 0.82 ESR1 (0.31) —
SCHEMBL12718867 0.82 FFAR1 (0.34) FFAR1
SCHEMBL12718564 0.82 OPRL1 (0.30) OPRL1

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 HTR2A 841/4885HTR2C 253/4885TYR 2047/4885

“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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