SCHEMBL2742739

SCHEMBL2742739

CC(O)CCOc1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.51
▸ CHRNB4 P30926 1/20 0.51
▸ CHRNA3 P32297 1/20 0.51
▸ CHRNA7 P36544 1/20 0.51
▸ CHRNA4 P43681 1/20 0.51
▸ PPARA Q07869 1/20 0.45
▸ MAOB P27338 4/20 0.44
▸ LTA4H P09960 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ CYP1A1 P04798 1/20 0.44
▸ CYP1B1 Q16678 1/20 0.44
▸ NOS1 P29475 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ AOC3 Q16853 1/20 0.43
▸ MAPK1 P28482 1/20 0.42

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
SCHEMBL27710429 0.82 LMNA (0.58) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL27665176 0.82 LMNA (0.58) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL8811646 0.81 KDM4E (0.60) PPARAMAOBALDH1A1AOC3
SCHEMBL13251241 0.81 TDP1 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL9721752 0.80 TDP1 (0.47) ALDH1A1TDP1MAPK1
SCHEMBL29027628 0.80 SLC6A9 (0.46) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL22837911 0.79 ESR1 (0.50) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL10698935 0.78 L3MBTL1 (0.52) ALDH1A1TDP1MAPK1
SCHEMBL10699565 0.78 MAPT (0.49) CHRNB4CHRNA3CHRNA7TDP1MAPK1
SCHEMBL14959985 0.78 L3MBTL1 (0.52) ALDH1A1TDP1MAPK1

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
WO-2012010413-A1 ARYLOXY-ALKYLENE SUBSTITUTED HYDROXYPHENYL HEXYNOIC ACIDS, METHODS FOR THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENT SANOFI (FR) 2012-01-26 — — WO disclosed
US-20120004166-A1 ARYLOXYALKYLENE-SUBSTITUTED HYDROXYPHENYLHEXYNOIC ACIDS, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS A MEDICAMENT SANOFI (FR) 2012-01-05 — — US disclosed
US-20120004166-A1 ARYLOXYALKYLENE-SUBSTITUTED HYDROXYPHENYLHEXYNOIC ACIDS, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS A MEDICAMENT SANOFI (FR) 2012-01-05 — — 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-20120004166-A1 ARYLOXYALKYLENE-SUBSTITUTED HYDROXYPHENYLHEXYNOIC ACIDS, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS A MEDICAMENT HCAR1, HCAR3, CYP2C9 CHRNB2 4217/4885CHRNB4 3643/4885CHRNA3 4001/4885

“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.

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