SCHEMBL12622367

SCHEMBL12622367

CCCCCC1CCC(c2ccc(C3CCC(C(F)(F)Oc4ccc(-c5cc(F)c(F)c(F)c5)c(F)c4)CC3)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.32
CYP2C9 P11712 2/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 2/20 0.31
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 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
SCHEMBL12622366 0.97 GRM2 (0.32) GRM2CYP2C9CYP3A4MAPTALDH1A1
SCHEMBL14175490 0.94 GRM2 (0.34) GRM2CYP2C9
SCHEMBL12622365 0.93 CYP2C9 (0.37) GRM2CYP2C9CYP3A4MAPTALDH1A1
SCHEMBL1255212 0.93 OPRL1 (0.32)
SCHEMBL12622410 0.93 GRM2 (0.31) GRM2CYP2C9CYP3A4
SCHEMBL12622433 0.93 GRM2 (0.33) GRM2CYP2C9CYP3A4
SCHEMBL12622361 0.92 OPRL1 (0.32)
SCHEMBL12622362 0.92 OPRL1 (0.32)
SCHEMBL12622386 0.92 GRM2 (0.34) GRM2
SCHEMBL17365875 0.91 GRM2 (0.31) GRM2MAPTGAA

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-7951432-B2 Five-ring liquid crystal compound having cyclohexane ring, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2011-05-31 US disclosed
US-20090302273-A1 FIVE-RING LIQUID CRYSTAL COMPOUND HAVING CYCLOHEXANE RING, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2009-12-10 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-20090302273-A1 FIVE-RING LIQUID CRYSTAL COMPOUND HAVING CYCLOHEXANE RING, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE ZYX, PYM1, CPNE4 GRM2 3001/4885CYP2C9 813/4885CYP3A4 449/4885

“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.