SCHEMBL2883392

SCHEMBL2883392

CCCCC[C@H]1CC[C@H](c2ccc(-c3cccc(F)c3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.40
TAAR1 Q96RJ0 3/20 0.40
GRM2 Q14416 1/20 0.40
CYP2C9 P11712 1/20 0.39
ESR2 Q92731 1/20 0.39
PAX8 Q06710 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
CNR2 P34972 1/20 0.37
GAA P10253 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37
TLR8 Q9NR97 1/20 0.37
GCGR P47871 1/20 0.37

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
SCHEMBL1813388 1.00 MGLL (0.40) MGLLTAAR1GRM2CYP2C9ESR2
SCHEMBL5166959 0.91 CYP2C9 (0.48) TAAR1GRM2CYP2C9ESR2PAX8
SCHEMBL5166964 0.91 CYP2C9 (0.48) TAAR1GRM2CYP2C9ESR2PAX8
SCHEMBL6455922 0.88 PAX8 (0.36) MGLLTAAR1GRM2ESR2PAX8
SCHEMBL6455918 0.88 PAX8 (0.36) MGLLTAAR1GRM2ESR2PAX8
SCHEMBL9224215 0.88 CYP2C9 (0.42) CYP2C9ESR2MAPTALDH1A1LMNA
SCHEMBL9224220 0.88 CYP2C9 (0.42) CYP2C9ESR2MAPTALDH1A1LMNA
SCHEMBL6457033 0.87 MGLL (0.38) MGLLTAAR1GRM2ESR2PAX8
SCHEMBL6457028 0.87 MGLL (0.38) MGLLTAAR1GRM2ESR2PAX8
SCHEMBL6464502 0.87 MGLL (0.38) MGLLTAAR1GRM2ESR2PAX8

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2123623-B1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2013-08-07 EP disclosed
US-7846514-B2 Liquid crystal compound, liquid crystal composition and, liquid crystal display device CHISSO CORPORATION (JP) 2010-12-07 US disclosed
US-20100073621-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 2010-03-25 US disclosed
EP-2123623-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2009-11-25 EP 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-20100073621-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT TRPV4, TRPV5, ZKSCAN2 MGLL 2355/4885TAAR1 2788/4885GRM2 3456/4885

“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.