SCHEMBL10043448

SCHEMBL10043448

CCCCCCCC1CCC(c2ccc(C3=CCC(c4ccc(C5CCC(CCCCC)CC5)cc4)CC3)c(F)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 9/20 0.35
CYP2C9 P11712 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C8 P10632 1/20 0.34
S1PR3 Q99500 1/20 0.34
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
S1PR1 P21453 4/20 0.32
S1PR4 O95977 1/20 0.32
S1PR5 Q9H228 1/20 0.32
SPHK2 Q9NRA0 5/20 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
SCHEMBL10043445 0.99 CYP2C9 (0.35) SPHK1CYP2C9CYP3A4CYP2C8S1PR3
SCHEMBL10043444 0.98 CYP2C9 (0.34) SPHK1CYP2C9CYP3A4CYP2C8S1PR3
SCHEMBL10043447 0.97 SPHK1 (0.33) SPHK1CYP2C9CYP3A4CYP2C8S1PR3
SCHEMBL10043446 0.97 CYP2C9 (0.39) SPHK1CYP2C9CYP3A4CYP2C8S1PR3
SCHEMBL10043443 0.96 CYP2C9 (0.33) SPHK1CYP2C9CYP3A4CYP2C8S1PR3
SCHEMBL10043527 0.94 OPRL1 (0.34) SPHK1CYP2C9CYP3A4CYP2C8S1PR3
SCHEMBL10043207 0.93 CYP2C9 (0.32) SPHK1CYP2C9MAPTALDH1A1LMNA
SCHEMBL10043525 0.93 OPRL1 (0.34) CYP2C9CYP3A4CYP2C8S1PR3MAPT
SCHEMBL10043112 0.92 CYP2C9 (0.31) CYP2C9MAPTALDH1A1LMNAMEN1
SCHEMBL10043196 0.92 CYP3A4 (0.30) CYP2C9CYP3A4CYP2C8S1PR3

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 1060/4885CYP2C9 3544/4885CYP3A4 3528/4885

“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.