SCHEMBL12196874

SCHEMBL12196874

CCCc1ccc(-c2ccc(OCC3CCC(C4CCC(c5ccc(OCC)c(F)c5F)CC4)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ ALOX5AP P20292 4/20 0.34
▸ FEN1 P39748 4/20 0.34
▸ CNR2 P34972 8/20 0.33
▸ SSTR5 P35346 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ HTR2A P28223 2/20 0.31
▸ HTR2C P28335 2/20 0.31
▸ HTR2B P41595 2/20 0.31
▸ SCN9A Q15858 2/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ FPR2 P25090 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
SCHEMBL11933177 0.97 CTSL (0.41) CTSLCTSSCTSKALOX5APFEN1
SCHEMBL11933323 0.97 CTSL (0.41) CTSLCTSSCTSKALOX5APFEN1
SCHEMBL12196569 0.94 CTSL (0.43) CTSLCTSSCTSKFPR2
SCHEMBL10302323 0.92 CNR2 (0.35) CTSLCTSSCTSKALOX5APFEN1
SCHEMBL12197069 0.92 CNR2 (0.35) CTSLCTSSCTSKALOX5APFEN1
SCHEMBL12196711 0.92 CTSL (0.39) CTSLCTSSCTSKFPR2
SCHEMBL14922560 0.91 ALOX5AP (0.38) ALOX5APFEN1CNR2SSTR5KCNH2
SCHEMBL12224587 0.91 CTSL (0.36) CTSLCTSSCTSKALOX5APFEN1
SCHEMBL11933119 0.90 CTSS (0.45) CTSLCTSSCTSKALOX5APFEN1
SCHEMBL12196992 0.90 CTSL (0.39) CTSLCTSSCTSKALOX5APFEN1

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 3 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

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 CTSL 3768/4885CTSS 2260/4885CTSK 1982/4885

“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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