SCHEMBL8945926

SCHEMBL8945926

C=CC1CCC(c2ccc(-c3ccc(-c4ccc(OCC)c(F)c4F)cc3)cc2F)CO1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 6/20 0.34
NAAA Q02083 1/20 0.32
GABRA1 P14867 3/20 0.31
GABRB2 P47870 3/20 0.31
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
HTR2C P28335 4/20 0.30
HTR2B P41595 2/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
HTR2A P28223 2/20 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
SCHEMBL18718456 0.96 FPR2 (0.36) FPR2NAAAGABRA1GABRB2FGFR1
SCHEMBL12023984 0.95 FPR2 (0.36) FPR2GABRA1GABRB2FGFR1FGFR2
SCHEMBL8945934 0.94 GABRA1 (0.38) FPR2GABRA1GABRB2HTR2CHTR2B
SCHEMBL8945902 0.93 CNR2 (0.36) FPR2GABRA1GABRB2HTR2C
SCHEMBL8945689 0.92 GABRA1 (0.35) FPR2GABRA1GABRB2
SCHEMBL12999933 0.91
SCHEMBL8945717 0.91 GABRA1 (0.35) FPR2GABRA1GABRB2
SCHEMBL8945944 0.91 GABRA1 (0.35) FPR2GABRA1GABRB2
SCHEMBL8945694 0.91 GABRA1 (0.35) FPR2GABRA1GABRB2
SCHEMBL8945736 0.91 GABRA1 (0.35) FPR2GABRA1GABRB2

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 FPR2 1427/4885NAAA 4128/4885GABRA1 3442/4885

“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.