SCHEMBL10301945

SCHEMBL10301945

CCOc1ccc(-c2ccc(CCc3ccc(CC)c(F)c3F)cc2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
S1PR1 P21453 1/20 0.40
PPARD Q03181 4/20 0.39
FFAR1 O14842 3/20 0.39
CYP17A1 P05093 1/20 0.39
PTGS2 P35354 2/20 0.39
PTGS1 P23219 1/20 0.38
RARB P10826 2/20 0.38
RARA P10276 1/20 0.38
RARG P13631 1/20 0.38
KDM1A O60341 2/20 0.37
FFAR4 Q5NUL3 1/20 0.37
PPARA Q07869 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 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
SCHEMBL10301946 0.92 NAAA (0.42) NAAARXRARXRBRXRGS1PR1
SCHEMBL10303023 0.91 CYP17A1 (0.47) NAAARXRARXRBRXRGS1PR1
SCHEMBL10301952 0.90 NAAA (0.40) NAAARXRARXRBRXRGS1PR1
SCHEMBL10301951 0.90 S1PR1 (0.41) NAAARXRARXRBRXRGS1PR1
SCHEMBL12735640 0.89 NAAA (0.41) NAAARXRARXRBRXRGS1PR1
SCHEMBL10301947 0.89 RARB (0.46) NAAARXRARXRBRXRGS1PR1
SCHEMBL10301943 0.88 CYP17A1 (0.52) NAAAFFAR1CYP17A1KDM4EPOLB
SCHEMBL10302215 0.87 FFAR1 (0.44) NAAARXRARXRBRXRGPPARD
SCHEMBL12735642 0.87 NAAA (0.41) NAAARXRARXRBRXRGS1PR1
SCHEMBL10302978 0.86 NAAA (0.38) NAAARXRARXRBRXRGS1PR1

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-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 US disclosed
US-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 US disclosed
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 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-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 NAAA 3989/4885RXRA 2617/4885RXRB 3102/4885

“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.