SCHEMBL12740286

SCHEMBL12740286

C=CCCOc1ccc(COC2CCC(c3ccc(C4CCC(C)CC4)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.32
NAAA Q02083 3/20 0.31
LNPEP Q9UIQ6 1/20 0.31
HTR1A P08908 1/20 0.31
ACACA Q13085 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 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
SCHEMBL12740287 0.96 HTR6 (0.32) HTR6NAAAHTR1AMAOAMAOB
SCHEMBL12736683 0.94 LNPEP (0.30) LNPEPHTR1A
SCHEMBL14766941 0.93 NAAA (0.33) HTR6NAAAHTR1AACACAMAOA
SCHEMBL12736686 0.90 ALDH1A1 (0.30) HTR1A
SCHEMBL14766668 0.90 CRBN (0.33) HTR6NAAAHTR1AACACA
SCHEMBL12740284 0.90 HTR2A (0.35) HTR6NAAAHTR1AACACAMAOA
SCHEMBL12822893 0.88 ACACA (0.34) NAAAACACAMAOAMAOB
SCHEMBL12740279 0.88 CRBN (0.36) NAAAHTR1A
SCHEMBL14766918 0.87 CRBN (0.33) HTR6NAAAHTR1A
SCHEMBL14766164 0.87 HTR1A (0.30) HTR1A

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 HTR6 3165/4885NAAA 3997/4885LNPEP 3617/4885

“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.