SCHEMBL10043319

SCHEMBL10043319

CCCCCCCC1CCC(c2ccc(C3CCC(C4CCC(c5ccc(CCCCC)c(F)c5)CC4)CC3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.43
SPHK2 Q9NRA0 7/20 0.39
CYP2C9 P11712 1/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX5 P09917 1/20 0.36
TYR P14679 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CNR2 P34972 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL10043111 0.99 SPHK1 (0.41) SPHK1SPHK2CYP2C9MAPTMEN1
SCHEMBL10043311 0.99 SPHK1 (0.41) SPHK1SPHK2CYP2C9MAPTMEN1
SCHEMBL10043312 0.96 SPHK1 (0.39) SPHK1SPHK2CYP2C9MAPTMEN1
SCHEMBL10043313 0.94 SPHK1 (0.39) SPHK1SPHK2CYP2C9MAPTMEN1
SCHEMBL10043110 0.94 SPHK1 (0.39) SPHK1SPHK2CYP2C9MAPTMEN1
SCHEMBL10043278 0.93 SPHK1 (0.38) SPHK1SPHK2
SCHEMBL10043130 0.93 SPHK1 (0.38) SPHK1SPHK2
SCHEMBL10043129 0.92 OPRL1 (0.37) SPHK1CYP2C9CNR2
SCHEMBL10043276 0.92 OPRL1 (0.37) SPHK1CYP2C9CNR2
SCHEMBL10043318 0.92 CYP2C9 (0.40) SPHK1SPHK2CYP2C9MAPTMEN1

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-8470199-B2 Five-ring liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-06-25 US disclosed
US-20120074355-A1 FIVE-RING LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-03-29 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-20120074355-A1 FIVE-RING LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE HTR3D, KIF23, CCND3 SPHK1 1060/4885SPHK2 1090/4885CYP2C9 3544/4885

“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.