SCHEMBL4595112

SCHEMBL4595112

Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1OCCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.47
LTB4R Q15722 2/20 0.45
PTPN1 P18031 3/20 0.45
PTPN2 P17706 2/20 0.45
PTPN6 P29350 2/20 0.45
PPARD Q03181 5/20 0.43
PPARA Q07869 2/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KIF11 P52732 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.41
MAP4K4 O95819 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
SCHEMBL4596411 0.80 CYP11B1 (0.51) LTB4RPTPN1PTPN2PTPN6PPARD
SCHEMBL31424232 0.80 ALDH1A1 (0.51) LTB4RKDM4EMEN1ALDH1A1POLB
SCHEMBL30118847 0.80 ALDH1A1 (0.51) LTB4RKDM4EMEN1ALDH1A1POLB
SCHEMBL11575722 0.80 ALDH1A1 (0.51) LTB4RKDM4EMEN1ALDH1A1POLB
Hydrochloric Acid SCHEMBL30338172 0.79 TSHR (0.50) LTB4RKDM4EMEN1ALDH1A1POLB
Hydrochloric Acid SCHEMBL11574045 0.79 TSHR (0.50) LTB4RKDM4EMEN1ALDH1A1POLB
SCHEMBL30118815 0.77 KDM4E (0.49) LTB4RPTPN1PTPN6PPARAKDM4E
SCHEMBL13310768 0.76 LMNA (0.49) PPARAL3MBTL1PTGDR2
SCHEMBL4596709 0.76 CYP11B1 (0.47) LTB4RPTPN1PTPN2PTPN6PPARD
SCHEMBL11605293 0.74 L3MBTL1 (0.61) PPARDPPARAALDH1A1L3MBTL1

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
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US disclosed
EP-1874753-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
WO-2006113432-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 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-20080176830-A1 Compounds, Compositions, and Methods ALPP, PCNA, MKI67 HDAC2 1216/4885LTB4R 3051/4885PTPN1 3942/4885

“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.