SCHEMBL12196768

SCHEMBL12196768

CCCCCc1ccc(C2CCC(CCc3ccc(C4CCC(c5ccc(CC)c(F)c5F)CC4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.33
SPHK1 Q9NYA1 3/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX5 P09917 1/20 0.33
MAPT P10636 1/20 0.33
TYR P14679 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
OPRL1 P41146 8/20 0.32
CYP2C9 P11712 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
SCHEMBL10302046 0.96 OPRL1 (0.33) MAPTTYROPRL1CYP2C9
SCHEMBL11933280 0.95 CTSL (0.33) CNR2SPHK1MEN1TP53CYP3A4
SCHEMBL11933154 0.95 CTSL (0.33) CNR2SPHK1MEN1TP53CYP3A4
SCHEMBL12734835 0.94 CYP2C9 (0.35) CNR2SPHK1MEN1TP53CYP3A4
SCHEMBL12739657 0.94 CYP2C9 (0.35) CNR2SPHK1MEN1TP53CYP3A4
SCHEMBL10302050 0.94 SPHK1 (0.33) CNR2SPHK1MEN1TP53CYP3A4
SCHEMBL12197371 0.93 CNR2 (0.32) CNR2SPHK1MEN1TP53CYP3A4
SCHEMBL12196724 0.92 CTSL (0.31) CNR2
SCHEMBL12196675 0.92 TYR (0.37) CNR2SPHK1MEN1TP53CYP3A4
SCHEMBL12196822 0.91 CTSL (0.33) CNR2SPHK1MEN1TP53CYP3A4

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-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 CNR2 253/4885SPHK1 942/4885MEN1 2906/4885

“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.