SCHEMBL4229676

SCHEMBL4229676

Cc1ccccc1-c1cc(F)cc2c1OC(C(Cc1ccccc1)NC(=O)O)C2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
AQP1 P29972 3/20 0.37
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
CAPN1 P07384 2/20 0.35
PARP1 P09874 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.33
MME P08473 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CTSD P07339 1/20 0.32
BACE1 P56817 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
SCHEMBL4231504 0.89 AQP1 (0.40) AQP1ALDH1A1CAPN1MAPTMME
SCHEMBL4231347 0.88 PPARG (0.38) PPARGPPARAALDH1A1MAPK1CAPN1
SCHEMBL6367863 0.88 HTT (0.36) PPARGPPARAALDH1A1MAPTMME
SCHEMBL4224729 0.87 ALDH1A1 (0.40) PPARGPPARAALDH1A1MAPK1CAPN1
SCHEMBL6368102 0.83 AQP1 (0.40) PPARGPPARAAQP1ALDH1A1MAPK1
SCHEMBL4225968 0.82 L3MBTL1 (0.40) PPARGPPARAALDH1A1MAPK1CAPN1
SCHEMBL4226524 0.81 ITGA4 (0.40) PPARGPPARAALDH1A1PARP1KMT2A
SCHEMBL4220113 0.80 PRKAB2 (0.40) PPARGPPARAPARP1MME
SCHEMBL4226160 0.80 PPARG (0.38) PPARGPPARAALDH1A1MAPK1CAPN1
SCHEMBL4226295 0.78 GPR52 (0.38) PPARGPPARACAPN1

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
US-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same WYETH (US) 2009-03-26 US disclosed
US-7435837-B2 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2008-10-14 US disclosed
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2005-11-24 US disclosed
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same WYETH (US) 2005-06-30 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 (3 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-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same HTR2C, HTR1A, HTR3A PPARG 1343/4885PPARA 1659/4885AQP1 1105/4885
US-20050143452-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same HTR2C, HTR1A, HTR3A PPARG 1343/4885PPARA 1659/4885AQP1 1105/4885
US-20050261347-A1 Dihydrobenzofuranyl alkanamine derivatives and methods for using same ADRA2A, HTR2A, ADRA1A PPARG 1956/4885PPARA 995/4885AQP1 2290/4885

“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.