SCHEMBL8936340

SCHEMBL8936340

CCCCCCCC1CC=C(c2ccc(-c3ccc(-c4ccc(OC)c(F)c4F)cc3)c(F)c2)CC1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.33
ESR2 Q92731 1/20 0.33
CCNT1 O60563 4/20 0.33
CDK9 P50750 4/20 0.33
RARB P10826 1/20 0.32
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
FSHR P23945 1/20 0.31
NAAA Q02083 1/20 0.31
ABCB1 P08183 2/20 0.30
PDE5A O76074 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
PTGS2 P35354 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
SCHEMBL8936247 0.99 ESR2 (0.34) MGLLESR2CCNT1CDK9RARB
SCHEMBL8937869 0.93 MGLL (0.35) MGLLESR2CCNT1CDK9RARB
SCHEMBL8932627 0.92 PDE5A (0.34) ESR2RARBNAAAPDE5AHDAC1
SCHEMBL8937652 0.92 NAAA (0.34) MGLLESR2CCNT1CDK9FSHR
SCHEMBL8935972 0.92 ESR2 (0.36) ESR2CCNT1CDK9NAAAABCB1
SCHEMBL8936383 0.91 RARB (0.34) ESR2CCNT1CDK9RARBPDE5A
SCHEMBL8936390 0.91 RARB (0.34) ESR2CCNT1CDK9RARBPDE5A
SCHEMBL8936250 0.91 RARB (0.34) ESR2CCNT1CDK9RARBPDE5A
SCHEMBL8936366 0.91 ESR2 (0.33) ESR2CCNT1CDK9RARBPDE5A
SCHEMBL8936249 0.91 RARB (0.34) ESR2CCNT1CDK9RARBPDE5A

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-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 MGLL 2808/4885ESR2 2689/4885CCNT1 946/4885

“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.