SCHEMBL2863145

SCHEMBL2863145

CCCc1ccc(-c2ccc(-c3ccc(-c4ccc(OCC)c(F)c4F)cc3)c(F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.41
GABRA1 P14867 3/20 0.39
GABRB2 P47870 3/20 0.39
FFAR4 Q5NUL3 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
S1PR1 P21453 5/20 0.38
RARA P10276 1/20 0.38
RARG P13631 1/20 0.38
NAAA Q02083 1/20 0.37
CYP17A1 P05093 1/20 0.36
S1PR3 Q99500 3/20 0.36
FGFR2 P21802 2/20 0.36
FGFR1 P11362 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL17637058 0.96 GABRA1 (0.43) RARBGABRA1GABRB2FFAR4S1PR1
SCHEMBL20015625 0.93 GABRA1 (0.40) RARBGABRA1GABRB2FFAR4RXRA
SCHEMBL10303371 0.92 GABRA1 (0.43) RARBGABRA1GABRB2FFAR4S1PR1
SCHEMBL3437385 0.92 GABRA1 (0.41) RARBGABRA1GABRB2FFAR4RXRA
SCHEMBL9563716 0.92 GABRA1 (0.41) RARBGABRA1GABRB2FFAR4RXRA
SCHEMBL2855559 0.91 RARB (0.52) RARBFFAR4S1PR1RARARARG
SCHEMBL9513766 0.91 RARB (0.43) RARBGABRA1GABRB2FFAR4RXRA
SCHEMBL22277203 0.90 GABRA1 (0.40) RARBGABRA1GABRB2FFAR4RXRA
SCHEMBL29873595 0.90 GABRA1 (0.42) RARBGABRA1GABRB2FFAR4RXRA
SCHEMBL3437380 0.90 GABRA1 (0.42) RARBGABRA1GABRB2FFAR4RXRA

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 7 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
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
EP-2206695-A1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2010-07-14 EP 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 RARB 3042/4885GABRA1 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.