SCHEMBL12736680

SCHEMBL12736680

CCCCCCCOc1ccc(C2CCC(OCc3ccc(C4CCC(C)CC4)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.38
CNR1 P21554 3/20 0.38
HTR1D P28221 8/20 0.36
HTR1B P28222 8/20 0.36
HTR1A P08908 6/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HTR2A P28223 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CRBN Q96SW2 1/20 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
SCHEMBL12736681 1.00 CNR2 (0.38) CNR2CNR1HTR1DHTR1BHTR1A
SCHEMBL12736684 1.00 CNR2 (0.38) CNR2CNR1HTR1DHTR1BHTR1A
SCHEMBL12736676 0.99 CNR2 (0.36) CNR2CNR1HTR1DHTR1BHTR1A
SCHEMBL12736674 0.97 CRBN (0.35) CNR2CNR1HTR1DHTR1BHTR1A
SCHEMBL12740282 0.94 CNR2 (0.39) CNR2CNR1HTR1DHTR1BHTR1A
SCHEMBL12740283 0.94 CNR2 (0.39) CNR2CNR1HTR1DHTR1BHTR1A
SCHEMBL12740280 0.94 CNR2 (0.39) CNR2CNR1HTR1DHTR1BHTR1A
SCHEMBL12740278 0.93 CNR2 (0.37) CNR2CNR1HTR1DHTR1BHTR1A
SCHEMBL14765908 0.91 CRBN (0.36) CNR2CNR1HTR1DHTR1BHTR1A
SCHEMBL12740279 0.91 CRBN (0.36) CNR2CNR1HTR1AHTR2ACRBN

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 686/4885CNR1 582/4885HTR1D 143/4885

“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.