SCHEMBL12822744

SCHEMBL12822744

CCC1CCC(c2ccc(OCC3CCC(c4ccc(C5CO5)c(F)c4)CC3)c(F)c2F)CC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 8/20 0.37
▸ FPR2 P25090 2/20 0.37
▸ HTR2A P28223 2/20 0.34
▸ HTR2C P28335 2/20 0.34
▸ HTR2B P41595 2/20 0.34
▸ SCN9A Q15858 5/20 0.33
▸ KDM1A O60341 2/20 0.33
▸ CNR1 P21554 1/20 0.32
▸ SGPL1 O95470 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ SCN5A Q14524 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
SCHEMBL13586463 0.93 CNR2 (0.37) CNR2FPR2HTR2AHTR2CHTR2B
SCHEMBL13586130 0.92 FPR2 (0.36) CNR2FPR2HTR2AHTR2CHTR2B
SCHEMBL12821156 0.91 FPR2 (0.38) CNR2FPR2HTR2AHTR2CHTR2B
SCHEMBL13586359 0.89 CNR2 (0.39) CNR2FPR2HTR2AHTR2CHTR2B
SCHEMBL12822967 0.89 CNR2 (0.39) CNR2FPR2HTR2AHTR2CHTR2B
SCHEMBL12907045 0.88 CNR2 (0.35) CNR2FPR2HTR2AHTR2CHTR2B
SCHEMBL12716952 0.88 FPR2 (0.36) CNR2FPR2HTR2AHTR2CHTR2B
SCHEMBL12821158 0.88 FPR2 (0.34) CNR2FPR2HTR2AHTR2CHTR2B
SCHEMBL12735836 0.87 KDM1A (0.45) CNR2FPR2HTR2AHTR2CHTR2B
SCHEMBL13586107 0.87 FPR2 (0.33) CNR2FPR2HTR2AHTR2CHTR2B

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 CNR2 686/4885FPR2 589/4885HTR2A 841/4885

“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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