SCHEMBL872812

SCHEMBL872812

CCCCCC1CCC(C2CCC(c3cc(F)c([C@H]4CC[C@H](c5cc(F)c(F)c(F)c5)CC4)c(F)c3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 3/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.32
OPRL1 P41146 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP1A2 P05177 2/20 0.30
SPHK1 Q9NYA1 1/20 0.30

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
SCHEMBL10043080 1.00 MEN1 (0.34) MEN1KMT2AMAPTGAACYP2C9
SCHEMBL10043089 1.00 MEN1 (0.34) MEN1KMT2AMAPTGAACYP2C9
SCHEMBL872811 1.00 MEN1 (0.34) MEN1KMT2AMAPTGAACYP2C9
SCHEMBL10043352 0.99 MAPT (0.35) MEN1KMT2AMAPTGAACYP2C9
SCHEMBL10043157 0.99 MAPT (0.35) MEN1KMT2AMAPTGAACYP2C9
SCHEMBL10043350 0.99 MAPT (0.35) MEN1KMT2AMAPTGAACYP2C9
SCHEMBL10043162 0.99 MAPT (0.35) MEN1KMT2AMAPTGAACYP2C9
SCHEMBL10043353 0.99 MAPT (0.35) MEN1KMT2AMAPTGAACYP2C9
SCHEMBL8734616 0.95 MEN1 (0.37) MEN1KMT2AMAPTGAACYP2C9
SCHEMBL7756537 0.95 MEN1 (0.37) MEN1KMT2AMAPTGAACYP2C9

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 MEN1 1110/4885KMT2A 1270/4885MAPT 667/4885

“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.