SCHEMBL12822882

SCHEMBL12822882

CCCC1CCC(c2ccc(OCC3CCC(c4ccc(C5CO5)cc4F)CC3)c(F)c2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ HTR2B P41595 2/20 0.36
▸ OPRL1 P41146 9/20 0.36
▸ CNR2 P34972 5/20 0.34
▸ FPR2 P25090 1/20 0.34
▸ CNR1 P21554 1/20 0.33
▸ SCN9A Q15858 2/20 0.33
▸ KDM1A O60341 1/20 0.32

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
SCHEMBL13586130 0.93 FPR2 (0.36) HTR2AHTR2CHTR2BOPRL1CNR2
SCHEMBL13586463 0.92 CNR2 (0.37) HTR2AHTR2CHTR2BOPRL1CNR2
SCHEMBL13586295 0.89 FPR2 (0.37) HTR2AHTR2CHTR2BOPRL1CNR2
SCHEMBL13586282 0.88 CNR2 (0.36) HTR2AHTR2CHTR2BCNR2FPR2
SCHEMBL12821510 0.88 CNR2 (0.36) HTR2AHTR2CHTR2BCNR2FPR2
SCHEMBL12994394 0.87 HTR2A (0.35) HTR2AHTR2CHTR2BOPRL1CNR2
SCHEMBL12908334 0.87 CNR2 (0.37) HTR2AHTR2CHTR2BOPRL1CNR2
SCHEMBL12822778 0.86 CNR2 (0.34) HTR2AHTR2CHTR2BCNR2FPR2
SCHEMBL12822903 0.85 HTR2C (0.34) HTR2AHTR2CHTR2BOPRL1CNR2
SCHEMBL13586372 0.85 FFAR1 (0.36) HTR2AHTR2CHTR2BCNR2FPR2

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 HTR2A 841/4885HTR2C 253/4885HTR2B 932/4885

“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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