SCHEMBL10043318

SCHEMBL10043318

CCCCCCC1CCC(c2ccc(C3CCC(C4CCC(c5ccc(CC)c(F)c5)CC4)CC3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
SPHK1 Q9NYA1 11/20 0.39
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
SPHK2 Q9NRA0 7/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C8 P10632 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR1 P21453 2/20 0.34

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
SCHEMBL10043109 0.99 CYP2C9 (0.41) CYP2C9MAPTALDH1A1LMNASPHK1
SCHEMBL10043317 0.99 CYP2C9 (0.41) CYP2C9MAPTALDH1A1LMNASPHK1
SCHEMBL13636733 0.97 CYP2C9 (0.39) CYP2C9MAPTALDH1A1LMNASPHK1
SCHEMBL10043128 0.93 OPRL1 (0.37) CYP2C9MAPTALDH1A1LMNASPHK1
SCHEMBL10043277 0.93 OPRL1 (0.37) CYP2C9MAPTALDH1A1LMNASPHK1
SCHEMBL10043273 0.92 OPRL1 (0.37) CYP2C9MAPTALDH1A1LMNA
SCHEMBL10043124 0.92 OPRL1 (0.37) CYP2C9MAPTALDH1A1LMNA
SCHEMBL10043319 0.92 SPHK1 (0.43) CYP2C9MAPTALDH1A1LMNASPHK1
SCHEMBL10043312 0.90 SPHK1 (0.39) CYP2C9MAPTALDH1A1LMNASPHK1
SCHEMBL10043311 0.90 SPHK1 (0.41) CYP2C9MAPTALDH1A1LMNASPHK1

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 CYP2C9 3544/4885MAPT 667/4885ALDH1A1 1115/4885

“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.