SCHEMBL12740342

SCHEMBL12740342

C=CCOc1ccc(COC2CCC(c3ccc(-c4ccc(C)cc4)c(F)c3F)CC2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.40
TMEM97 Q5BJF2 6/20 0.40
DRD4 P21917 9/20 0.38
NAAA Q02083 1/20 0.36
HTR6 P50406 1/20 0.36
ALOX5AP P20292 2/20 0.34
FEN1 P39748 2/20 0.34
GYS1 P13807 1/20 0.34
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
DRD3 P35462 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL12740344 0.91 SIGMAR1 (0.39) SIGMAR1TMEM97DRD4NAAAHTR6
SCHEMBL12740343 0.91 SIGMAR1 (0.39) SIGMAR1TMEM97DRD4NAAAHTR6
SCHEMBL14766867 0.91 GYS1 (0.38) SIGMAR1DRD4NAAAHTR6ALOX5AP
SCHEMBL12740336 0.90 SIGMAR1 (0.43) SIGMAR1TMEM97DRD4NAAAHTR6
SCHEMBL12719034 0.89 NAAA (0.34) SIGMAR1TMEM97DRD4NAAAHTR6
SCHEMBL14766702 0.89 GYS1 (0.41) NAAAHTR6ALOX5APFEN1GYS1
SCHEMBL14766403 0.88 DRD4 (0.38) SIGMAR1TMEM97DRD4NAAAHTR6
SCHEMBL14767031 0.87 GABRA1 (0.35) DRD4NAAAHTR6GYS1HTR2C
SCHEMBL12740249 0.87 DRD4 (0.38) SIGMAR1TMEM97DRD4NAAAHTR6
SCHEMBL12739875 0.86 ALOX5AP (0.33) SIGMAR1TMEM97DRD4HTR6ALOX5AP

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-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 SIGMAR1 1690/4885TMEM97 2963/4885DRD4 97/4885

“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.