SCHEMBL12197032

SCHEMBL12197032

CCCc1ccc(-c2ccc(COC3CCC(C4CCC(c5ccc(OCC)c(F)c5F)CC4)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
NAAA Q02083 1/20 0.34
HTR1A P08908 1/20 0.30
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
SCHEMBL11933201 0.97 CTSL (0.41) CTSLCTSSCTSKNAAAHTR1A
SCHEMBL11933300 0.97 CTSL (0.41) CTSLCTSSCTSKNAAAHTR1A
SCHEMBL14922574 0.95 NAAA (0.36) CTSLCTSSCTSKNAAAHTR1A
SCHEMBL12196569 0.94 CTSL (0.43) CTSLCTSSCTSKFPR2
SCHEMBL12196934 0.94 NAAA (0.37) CTSLCTSSCTSKNAAAHTR1A
SCHEMBL10302579 0.94 NAAA (0.37) CTSLCTSSCTSKNAAAHTR1A
SCHEMBL14922563 0.92 NAAA (0.34) CTSLCTSSCTSKNAAAHTR1A
SCHEMBL15381649 0.91 NAAA (0.38) CTSLCTSSCTSKNAAAHTR1A
SCHEMBL15381759 0.91 NAAA (0.38) CTSLCTSSCTSKNAAAHTR1A
SCHEMBL14922567 0.91 NAAA (0.33) NAAAFPR2

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.