SCHEMBL8932329

SCHEMBL8932329

CCCc1ccc(-c2ccc(CCc3ccc(-c4ccc(OCC)c(F)c4F)cc3)c(F)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.39
GABRA1 P14867 4/20 0.39
GABRB2 P47870 4/20 0.39
S1PR1 P21453 3/20 0.38
FFAR4 Q5NUL3 1/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
RARB P10826 2/20 0.35
RARA P10276 1/20 0.35
RARG P13631 1/20 0.35
ALOX5 P09917 1/20 0.34
FGFR2 P21802 2/20 0.34
CYP17A1 P05093 1/20 0.34
FGFR1 P11362 1/20 0.34
S1PR3 Q99500 1/20 0.34
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL6889160 0.95 GABRA1 (0.43) NAAAGABRA1GABRB2FFAR4ALOX5
SCHEMBL10301999 0.94 GABRA1 (0.42) NAAAGABRA1GABRB2S1PR1FFAR4
SCHEMBL12735642 0.92 NAAA (0.41) NAAAGABRA1GABRB2S1PR1FFAR4
SCHEMBL8932327 0.91 NAAA (0.42) NAAAGABRA1GABRB2S1PR1FFAR4
SCHEMBL10302027 0.90 GABRA1 (0.43) NAAAGABRA1GABRB2S1PR1FFAR4
SCHEMBL2863145 0.90 RARB (0.41) NAAAGABRA1GABRB2S1PR1FFAR4
SCHEMBL12740092 0.89 CTSL (0.41) GABRA1GABRB2S1PR1FFAR4ALOX5
SCHEMBL12735553 0.89 CTSL (0.41) GABRA1GABRB2S1PR1FFAR4ALOX5
SCHEMBL22277203 0.89 GABRA1 (0.40) GABRA1GABRB2S1PR1FFAR4RXRA
SCHEMBL10302004 0.88 FFAR4 (0.38) NAAAGABRA1GABRB2S1PR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206695-B1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2013-09-18 EP 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-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
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 4128/4885GABRA1 3442/4885GABRB2 3958/4885

“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.