SCHEMBL8934372

SCHEMBL8934372

C=CC1CCC(c2ccc(-c3ccc(-c4ccc(OC)c(F)c4F)cc3)cc2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.36
NAAA Q02083 2/20 0.36
ALOX5AP P20292 5/20 0.35
FEN1 P39748 5/20 0.35
PTGS2 P35354 2/20 0.33
PTGS1 P23219 1/20 0.33
CYP17A1 P05093 1/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
DGAT1 O75907 1/20 0.32
FPR2 P25090 1/20 0.32

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
SCHEMBL8961252 0.97 TDP2 (0.34) TDP2NAAAALOX5APFEN1PTGS2
SCHEMBL8935111 0.90 ALOX5AP (0.38) ALOX5APFEN1FPR2
SCHEMBL8934250 0.89 NAAA (0.34) NAAAALOX5APFEN1GRIN1GRIN2B
SCHEMBL8934390 0.88 TDP2 (0.35) TDP2NAAAALOX5APFEN1PTGS2
SCHEMBL8934335 0.87 HTR2C (0.35)
SCHEMBL8934379 0.86 GABRA1 (0.39) ALOX5APFEN1FPR2
SCHEMBL8961305 0.86 NAAA (0.33) NAAAALOX5APFEN1FPR2
SCHEMBL8934684 0.86 DGAT1 (0.37) TDP2NAAAALOX5APFEN1CYP17A1
SCHEMBL8962276 0.86 ALOX5AP (0.36) ALOX5APFEN1FPR2
SCHEMBL8934382 0.86 CNR2 (0.36) ALOX5APFEN1FPR2

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 TDP2 3352/4885NAAA 4128/4885ALOX5AP 1414/4885

“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.