SCHEMBL12197069

SCHEMBL12197069

CCCc1ccc(C2CCC(COc3ccc(C4CCC(c5ccc(OCC)c(F)c5F)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 8/20 0.35
▸ HTR2A P28223 2/20 0.34
▸ HTR2C P28335 2/20 0.34
▸ HTR2B P41595 2/20 0.34
▸ RIPK1 Q13546 1/20 0.34
▸ CTSL P07711 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ SCN9A Q15858 4/20 0.34
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ SSTR5 P35346 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ CNR1 P21554 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
SCHEMBL10302323 1.00 CNR2 (0.35) CNR2HTR2AHTR2CHTR2BRIPK1
SCHEMBL11933177 0.95 CTSL (0.41) CNR2HTR2AHTR2CHTR2BRIPK1
SCHEMBL11933323 0.95 CTSL (0.41) CNR2HTR2AHTR2CHTR2BRIPK1
SCHEMBL12740608 0.94 CNR2 (0.34) CNR2HTR2AHTR2CHTR2BRIPK1
SCHEMBL10302318 0.94 CNR2 (0.36) CNR2HTR2AHTR2CHTR2BRIPK1
SCHEMBL12735744 0.94 CNR2 (0.34) CNR2HTR2AHTR2CHTR2BRIPK1
SCHEMBL10302311 0.94 CNR2 (0.36) CNR2HTR2AHTR2CHTR2BRIPK1
SCHEMBL10302319 0.93 CNR2 (0.34) CNR2HTR2AHTR2CHTR2BRIPK1
SCHEMBL12196874 0.92 CTSL (0.39) CNR2HTR2AHTR2CHTR2BCTSL
SCHEMBL10301642 0.92 CTSL (0.38) CTSLCTSSCTSK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8435422-B2 Five-ring compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-05-07 — — US disclosed
US-8435422-B2 Five-ring compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-05-07 — — US disclosed
US-20110240919-A1 FIVE-RING COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-10-06 — — US disclosed
US-20110240919-A1 FIVE-RING COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-10-06 — — 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-20110240919-A1 FIVE-RING COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE NCAPD3, CCND3, ZKSCAN2 CNR2 253/4885HTR2A 925/4885HTR2C 201/4885

“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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