SCHEMBL1509946

SCHEMBL1509946

CCCC1CCC(C2CCC(CCOc3cccc(C=O)c3F)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MCHR1 Q99705 2/20 0.38
IDO1 P14902 1/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
SCN9A Q15858 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
TLR4 O00206 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
RAD52 P43351 1/20 0.32
MAPK14 Q16539 1/20 0.32

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
SCHEMBL1509949 0.83 HPGD (0.38) HPGDALDH1A1HTTSMN1; SMN2MCHR1
SCHEMBL1509929 0.80 MCHR1 (0.38) MCHR1IDO1SCN9A
SCHEMBL12610716 0.79 ALDH1A1 (0.55) HPGDALDH1A1HTTSMN1; SMN2MCHR1
SCHEMBL13986197 0.78 ALDH1A1 (0.53) HPGDALDH1A1HTTSMN1; SMN2MCHR1
SCHEMBL7737012 0.78 L3MBTL1 (0.39) MCHR1BCHEACHE
SCHEMBL7737020 0.78 L3MBTL1 (0.39) MCHR1BCHEACHE
SCHEMBL7737016 0.78 L3MBTL1 (0.39) MCHR1BCHEACHE
SCHEMBL1509964 0.77 HTR1A (0.34) ALDH1A1HTTMCHR1SCN9A
SCHEMBL15803732 0.77 MCHR1 (0.34) HPGDALDH1A1HTTMCHR1IDO1
SCHEMBL8767442 0.75 ALDH1A1 (0.50) HPGDALDH1A1HTTSMN1; SMN2MCHR1

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 4 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-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 HPGD 4247/4885ALDH1A1 1988/4885HTT 1952/4885

“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.