SCHEMBL11933280

SCHEMBL11933280

CCCCCc1ccc(C2CCC(CCc3ccc(-c4ccc(CC)c(F)c4F)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CNR2 P34972 1/20 0.31
ELANE P08246 2/20 0.31
CTSG P08311 2/20 0.31
MAPT P10636 2/20 0.31
BCHE P06276 1/20 0.31
GAA P10253 1/20 0.31
SPHK1 Q9NYA1 1/20 0.30
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX5 P09917 1/20 0.30
TYR P14679 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL11933154 1.00 CTSL (0.33) CTSLCTSSCTSKCNR2ELANE
SCHEMBL12196724 0.97 CTSL (0.31) CTSLCTSSCTSKCNR2
SCHEMBL12196822 0.96 CTSL (0.33) CTSLCTSSCTSKCNR2ELANE
SCHEMBL12196768 0.95 CNR2 (0.33) CNR2MAPTSPHK1MEN1TP53
SCHEMBL11933120 0.93 CTSL (0.36) CTSLCTSSCTSKCNR2ELANE
SCHEMBL10302046 0.92 OPRL1 (0.33) MAPTBCHETYROPRL1
SCHEMBL12196585 0.89 CTSL (0.34) CTSLCTSSCTSKELANECTSG
SCHEMBL10302050 0.89 SPHK1 (0.33) CNR2MAPTBCHEGAASPHK1
SCHEMBL12734835 0.89 CYP2C9 (0.35) CNR2MAPTBCHESPHK1MEN1
SCHEMBL12739657 0.89 CYP2C9 (0.35) CNR2MAPTBCHESPHK1MEN1

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-8580147-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 US disclosed
EP-2479162-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2012-07-25 EP disclosed
US-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-07-05 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-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CXCR1, OCIAD1, LEO1 CTSL 1542/4885CTSS 2038/4885CTSK 1522/4885

“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.