SCHEMBL4276451

SCHEMBL4276451

CC(=CC(=O)O)CCc1cccc(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.47
FFAR4 Q5NUL3 2/20 0.47
HCAR2 Q8TDS4 1/20 0.47
ALDH1A1 P00352 2/20 0.46
ESR1 P03372 1/20 0.46
NR3C1 P04150 1/20 0.46
PGR P06401 1/20 0.46
NR3C2 P08235 1/20 0.46
AR P10275 1/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
TAAR1 Q96RJ0 3/20 0.45
PDPK1 O15530 1/20 0.44
MAOB P27338 2/20 0.43
RIPK1 Q13546 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL4276447 1.00 FFAR1 (0.47) FFAR1FFAR4HCAR2ALDH1A1ESR1
SCHEMBL4234560 0.84 ALDH1A1 (0.60) FFAR1FFAR4ALDH1A1ESR1NR3C1
SCHEMBL6515245 0.82 ALDH1A1 (0.68) FFAR1ALDH1A1PDPK1L3MBTL1MAPT
SCHEMBL6515248 0.82 ALDH1A1 (0.68) FFAR1ALDH1A1PDPK1L3MBTL1MAPT
SCHEMBL6521611 0.82 ALDH1A1 (0.68) FFAR1ALDH1A1PDPK1L3MBTL1MAPT
SCHEMBL8232654 0.81 FFAR1 (0.41) FFAR1FFAR4HCAR2ESR1NR3C1
SCHEMBL4278351 0.79 TAAR1 (0.43) FFAR1FFAR4ESR1NR3C1PGR
SCHEMBL4278343 0.79 TAAR1 (0.43) FFAR1FFAR4ESR1NR3C1PGR
SCHEMBL6586 0.79 FFAR1 (0.68) FFAR1FFAR4ESR1NR3C1PGR
SCHEMBL3397240 0.78 TAAR1 (0.50) FFAR1FFAR4ALDH1A1ESR1NR3C1

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-20090099217-A1 2-Aminopyrimidin-4-Ones And Their Use For Treating Or Preventing Alpha Beta-Related Pathologies ASTEX THERAPEUTICS LTD. (GB) 2009-04-16 US disclosed
US-20090099217-A1 2-Aminopyrimidin-4-Ones And Their Use For Treating Or Preventing Alpha Beta-Related Pathologies ASTEX THERAPEUTICS LTD. (GB) 2009-04-16 US disclosed
US-20090099217-A1 2-Aminopyrimidin-4-Ones And Their Use For Treating Or Preventing Alpha Beta-Related Pathologies ASTEX THERAPEUTICS LTD. (GB) 2009-04-16 US disclosed
WO-2007114771-A1 2-AMINOPYRIMIDIN-4-ONES AND THEIR USE FOR TREATING OR PREVENTING Aβ-RELATED PATHOLOGIES ASTRAZENECA AB (SE) 2007-10-11 WO 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-20090099217-A1 2-Aminopyrimidin-4-Ones And Their Use For Treating Or Preventing Alpha Beta-Related Pathologies PSEN2, APP, PSEN1 FFAR1 4135/4885FFAR4 4425/4885HCAR2 1338/4885

“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.