SCHEMBL10301946

SCHEMBL10301946

CCCc1ccc(CCc2ccc(-c3ccc(OCC)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.42
S1PR1 P21453 1/20 0.40
GABRA1 P14867 3/20 0.39
GABRB2 P47870 3/20 0.39
CYP17A1 P05093 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 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
FFAR1 O14842 1/20 0.37
PPARD Q03181 1/20 0.37
PTGS2 P35354 2/20 0.36
PTGS1 P23219 1/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL10301945 0.92 NAAA (0.42) NAAAS1PR1CYP17A1RXRARXRB
SCHEMBL12735642 0.92 NAAA (0.41) NAAAS1PR1GABRA1GABRB2CYP17A1
SCHEMBL10301947 0.91 RARB (0.46) NAAAS1PR1CYP17A1RXRARXRB
SCHEMBL10303023 0.91 CYP17A1 (0.47) NAAAS1PR1CYP17A1RXRARXRB
SCHEMBL10301951 0.90 S1PR1 (0.41) NAAAS1PR1CYP17A1RXRARXRB
SCHEMBL10301952 0.90 NAAA (0.40) NAAAS1PR1CYP17A1RXRARXRB
SCHEMBL10302216 0.90 NAAA (0.43) NAAAS1PR1GABRA1GABRB2CYP17A1
SCHEMBL9406154 0.88 GABRA1 (0.40) S1PR1GABRA1GABRB2RXRARXRB
SCHEMBL11063154 0.87 CYP17A1 (0.46) NAAAS1PR1GABRA1GABRB2CYP17A1
SCHEMBL10303278 0.87 NAAA (0.44) NAAAS1PR1GABRA1GABRB2CYP17A1

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 3989/4885S1PR1 1915/4885GABRA1 3899/4885

“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.