SCHEMBL10301640

SCHEMBL10301640

CCCCCc1ccc(C2CCC(c3ccc(OC)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.43
PTGS2 P35354 4/20 0.43
PPARA Q07869 1/20 0.39
SLC6A2 P23975 5/20 0.37
SLC6A4 P31645 5/20 0.37
SLC6A3 Q01959 5/20 0.37
HTR2A P28223 2/20 0.37
ELANE P08246 2/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
DRD2 P14416 1/20 0.34

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
SCHEMBL10302052 0.93 ALOX5 (0.38) ALOX5PTGS2PPARASLC6A2SLC6A4
SCHEMBL10302577 0.92 ALOX5 (0.37) ALOX5PTGS2PPARASLC6A2SLC6A4
SCHEMBL10302322 0.91 CNR2 (0.37) ALOX5PTGS2PPARASLC6A2SLC6A4
SCHEMBL10301643 0.90 ALOX5 (0.34) ALOX5PTGS2CNR1CNR2
SCHEMBL11953639 0.88 ALOX5 (0.34) ALOX5PTGS2PPARASLC6A2SLC6A4
SCHEMBL12739660 0.88 CNR2 (0.34) ALOX5PTGS2SLC6A2SLC6A4SLC6A3
SCHEMBL12734842 0.88 CNR2 (0.34) ALOX5PTGS2SLC6A2SLC6A4SLC6A3
SCHEMBL10301779 0.87 ALOX5 (0.34) ALOX5PTGS2PPARASLC6A2SLC6A4
SCHEMBL10301613 0.87 SLC6A2 (0.37) ALOX5PTGS2SLC6A2SLC6A4SLC6A3
SCHEMBL10301638 0.86 TYR (0.38) ALOX5PTGS2

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 2 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-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 ALOX5 2686/4885PTGS2 4434/4885PPARA 3746/4885

“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.