SCHEMBL12739769

SCHEMBL12739769

CCCCOc1ccc(CCC2CCC(c3ccc(C4CCC(C)CC4)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.38
CRBN Q96SW2 1/20 0.36
CNR1 P21554 4/20 0.35
HPGD P15428 1/20 0.34
HTR2A P28223 3/20 0.33
FFAR1 O14842 2/20 0.33
HTR2C P28335 2/20 0.33
GPR119 Q8TDV5 1/20 0.33
RAB9A P51151 1/20 0.33
SCN9A Q15858 2/20 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
SCHEMBL12739770 0.98 CNR2 (0.41) CNR2CRBNCNR1HPGDHTR2A
SCHEMBL12739773 0.97 CNR2 (0.42) CNR2CRBNCNR1HTR2A
SCHEMBL12739776 0.97 CNR2 (0.42) CNR2CRBNCNR1HTR2A
SCHEMBL12739775 0.97 CNR2 (0.42) CNR2CRBNCNR1HTR2A
SCHEMBL12735033 0.95 CNR2 (0.36) CNR2CRBNCNR1HPGDFFAR1
SCHEMBL12735035 0.93 CNR2 (0.39) CNR2CRBNCNR1HTR2A
SCHEMBL12735043 0.92 CNR2 (0.40) CNR2CRBNCNR1HTR2A
SCHEMBL12735046 0.92 CNR2 (0.40) CNR2CRBNCNR1HTR2A
SCHEMBL12735045 0.92 CNR2 (0.40) CNR2CRBNCNR1HTR2A
SCHEMBL12739768 0.91 HTR2A (0.34) HTR2AFFAR1HTR2CSCN9A

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 CNR2 686/4885CRBN 1374/4885CNR1 582/4885

“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.