SCHEMBL12736668

SCHEMBL12736668

CCCCCC1CCC(c2ccc(COC3CCC(c4ccc(OCC)cc4F)CC3)c(F)c2F)CC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 9/20 0.33
CNR2 P34972 4/20 0.33
GPR119 Q8TDV5 2/20 0.33
TDP1 Q9NUW8 1/20 0.31
HTR1A P08908 2/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
HCRTR2 O43614 1/20 0.30
CNR1 P21554 2/20 0.30
NAAA Q02083 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
SCHEMBL12740276 0.94 NAAA (0.35) CNR2TDP1HTR1AHTR1DHTR1B
SCHEMBL12736667 0.93 OPRL1 (0.34) OPRL1GPR119HTR1AHCRTR2NAAA
SCHEMBL12736665 0.92 NAAA (0.34) OPRL1CNR2GPR119CNR1NAAA
SCHEMBL14765918 0.90 CRBN (0.33) CNR2GPR119HTR1AHCRTR2CNR1
SCHEMBL12735018 0.89 OPRL1 (0.34) OPRL1CNR2TDP1CNR1
SCHEMBL12736666 0.89 GPR119 (0.35) OPRL1GPR119HTR1AHCRTR2NAAA
SCHEMBL10302633 0.88 CNR2 (0.38) CNR2GPR119HTR1AHTR1DHTR1B
SCHEMBL14766390 0.88 HTR1A (0.34) GPR119HTR1AHCRTR2NAAA
SCHEMBL12736672 0.87 GPR119 (0.35) GPR119HTR1AHCRTR2NAAA
SCHEMBL12740206 0.87 NAAA (0.34) HTR1ANAAA

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 OPRL1 2073/4885CNR2 686/4885GPR119 3675/4885

“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.