SCHEMBL12740271

SCHEMBL12740271

CCCC1CCC(c2ccc(C3CCC(OCc4ccc(OCC)cc4F)CC3)c(F)c2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 5/20 0.36
ACACA Q13085 1/20 0.34
HTR1A P08908 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
HTR6 P50406 2/20 0.31
OPRL1 P41146 2/20 0.31
FFAR1 O14842 3/20 0.31
GPR119 Q8TDV5 2/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
KCNH2 Q12809 1/20 0.31
GRM2 Q14416 1/20 0.31

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
SCHEMBL12736667 0.94 OPRL1 (0.34) NAAAHTR1AMAOAMAOBOPRL1
SCHEMBL12740276 0.93 NAAA (0.35) NAAAACACAHTR1AMAOAMAOB
SCHEMBL12740270 0.91 NAAA (0.37) NAAAACACAHTR1AMAOAMAOB
SCHEMBL14766817 0.90 NAAA (0.39) NAAAACACAHTR1AMAOAMAOB
SCHEMBL12740277 0.89 NAAA (0.36) NAAAACACAHTR1AMAOAMAOB
SCHEMBL12739759 0.89 HTR2A (0.35) ACACAOPRL1FFAR1CHRNB2CHRNA4
SCHEMBL14766940 0.88 NAAA (0.37) NAAAHTR1AMAOAMAOBHTR6
SCHEMBL12718656 0.88 NAAA (0.38) NAAAACACAHTR1AMAOAMAOB
SCHEMBL12740275 0.88 NAAA (0.38) NAAAACACAHTR1AMAOAMAOB
SCHEMBL12736668 0.87 OPRL1 (0.33) NAAAHTR1AOPRL1GPR119

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 4 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-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
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 NAAA 3997/4885ACACA 2882/4885HTR1A 484/4885

“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.