SCHEMBL10043310

SCHEMBL10043310

CCC1CCC(c2ccc(C3CCC(C4CCC(c5ccc(C)c(F)c5)CC4)CC3)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.35
ESR2 Q92731 2/20 0.35
ESR1 P03372 1/20 0.35
CYP3A4 P08684 1/20 0.35
SLC6A3 Q01959 3/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
DGAT1 O75907 1/20 0.33

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
SCHEMBL16574949 0.98 SLC6A3 (0.35) CYP2C9ESR2ESR1CYP3A4SLC6A3
SCHEMBL12333967 0.94 SLC6A3 (0.37) CYP2C9ESR2ESR1CYP3A4SLC6A3
SCHEMBL10043122 0.92 OPRL1 (0.36) SLC6A3SLC6A2SLC6A4DGAT1
SCHEMBL10043271 0.92 OPRL1 (0.36) SLC6A3SLC6A2SLC6A4DGAT1
SCHEMBL19844722 0.90 SLC6A3 (0.39) CYP2C9ESR2ESR1CYP3A4SLC6A3
SCHEMBL15255846 0.87 CYP2C9 (0.46) CYP2C9ESR2SLC6A3SLC6A2SLC6A4
SCHEMBL14867217 0.87 HTR2A (0.42) CYP2C9ESR2ESR1CYP3A4SLC6A3
SCHEMBL5683749 0.86 HTR2A (0.37) CYP2C9ESR2ESR1CYP3A4SLC6A3
SCHEMBL18511910 0.86 HTR2A (0.37) CYP2C9ESR2ESR1CYP3A4SLC6A3
SCHEMBL5683754 0.86 HTR2A (0.37) CYP2C9ESR2ESR1CYP3A4SLC6A3

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 5 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-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
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
WO-2010146992-A1 PENTACYCLIC LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2010-12-23 WO 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 3544/4885ESR2 2435/4885ESR1 2613/4885

“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.