SCHEMBL8965426

SCHEMBL8965426

CCCC1CCC(C2CC=C(c3ccc(-c4ccc(-c5ccc(OC)c(F)c5F)cc4)cc3F)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
CCNT1 O60563 3/20 0.32
CDK9 P50750 3/20 0.32
TDP2 O95551 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
SCHEMBL8965677 0.94 NAAA (0.32) NAAAGRIN1GRIN2BCCNT1CDK9
SCHEMBL8963542 0.94 CCNT1 (0.32) NAAAGRIN1GRIN2BCCNT1CDK9
SCHEMBL8965887 0.93 MGLL (0.33) NAAAGRIN1GRIN2BCCNT1CDK9
SCHEMBL8965452 0.93 NAAA (0.33) NAAA
SCHEMBL8967155 0.92 CCNT1 (0.32) CCNT1CDK9
SCHEMBL8965462 0.91 CCNT1 (0.31) CCNT1CDK9
SCHEMBL8965520 0.90 S1PR1 (0.33) CCNT1CDK9
SCHEMBL13000840 0.90
SCHEMBL8937308 0.89 NAAA (0.36) NAAAGRIN1GRIN2BCCNT1CDK9
SCHEMBL8966677 0.89 NAAA (0.32) NAAAGRIN1GRIN2BCCNT1CDK9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed
US-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-09 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-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, HCN3, FZD7 NAAA 4128/4885GRIN1 3087/4885GRIN2B 2825/4885

“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.