SCHEMBL1509904

SCHEMBL1509904

COCOc1ccc(C)c(C=O)c1F

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.34
ALDH1A1 P00352 4/20 0.33
BACE1 P56817 3/20 0.33
MAPT P10636 1/20 0.33
ERN1 O75460 2/20 0.32
FDPS P14324 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
EGFR P00533 1/20 0.31
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TUBB1 Q9H4B7 1/20 0.30

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
SCHEMBL13025551 0.87 PTPN1 (0.37) PTPN1ALDH1A1BACE1MAPTERN1
SCHEMBL27142802 0.85 ALDH1A1 (0.40) ALDH1A1BACE1MAPTERN1FDPS
SCHEMBL27140861 0.83 LMNA (0.38) ALDH1A1BACE1MAPTERN1GAA
SCHEMBL1509971 0.83 LMNA (0.38) ALDH1A1BACE1MAPTERN1GAA
SCHEMBL2240164 0.83 ERN1 (0.47) ALDH1A1BACE1MAPTERN1FDPS
SCHEMBL13088871 0.83 ALDH1A1 (0.35) PTPN1ALDH1A1BACE1MAPTERN1
SCHEMBL2628021 0.81 ERN1 (0.43) ALDH1A1ERN1FDPSTDP1TUBB1
SCHEMBL16341832 0.81 ERN1 (0.38) PTPN1ALDH1A1BACE1MAPTERN1
SCHEMBL17528451 0.79 PTPN1 (0.36) PTPN1TUBB1
SCHEMBL20607762 0.77 ERN1 (0.38) PTPN1ALDH1A1BACE1MAPTERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1731493-B1 BENZENE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORP (JP) 2011-03-23 EP disclosed
US-7838087-B2 Benzene derivative, liquid crystal composition and liquid crystal display device CHISSO CORPORATION (JP) 2010-11-23 US disclosed
US-7838087-B2 Benzene derivative, liquid crystal composition and liquid crystal display device CHISSO CORPORATION (JP) 2010-11-23 US disclosed
US-20070200092-A1 Benzene Derivative, Liquid Crystal Composition And Liquid Crystal Display Device JNC PETROCHEMICAL CORPORATION (JP) 2007-08-30 US disclosed
US-20070200092-A1 Benzene Derivative, Liquid Crystal Composition And Liquid Crystal Display Device JNC PETROCHEMICAL CORPORATION (JP) 2007-08-30 US disclosed
EP-1731493-A1 BENZENE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORPORATION (JP) 2006-12-13 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-20070200092-A1 Benzene Derivative, Liquid Crystal Composition And Liquid Crystal Display Device CCND2, YBX1, CNKSR1 PTPN1 902/4885ALDH1A1 1988/4885BACE1 1833/4885

“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.