SCHEMBL6506987

SCHEMBL6506987

O=C(O)c1cc(C(=O)O)n(C2CCCCO2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.41
CYP4A11 Q02928 3/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
ATR Q13535 5/20 0.39
KMO O15229 1/20 0.37
CYP2C19 P33261 1/20 0.36
RET P07949 3/20 0.35
POLB P06746 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL19253419 0.84 RXRA (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL25465423 0.84 CYP4F2 (0.42) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL29250235 0.84 CYP4F2 (0.44) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL3500899 0.80 RXRA (0.36) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL18617563 0.78 CYP4F2 (0.40) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL3500073 0.77 SMN1; SMN2 (0.46) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL3499521 0.77 KMT2A (0.46) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL6502716 0.75 KMT2A (0.42) CYP4F2CYP4A11CYP2C19ALDH1A1HTT
SCHEMBL24424816 0.74 CYP4F2 (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL31305719 0.74 CYP4F2 (0.37) CYP4F2CYP4A11RXRARXRBRXRG

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352330-B2 Phenoxymethyl derivatives HOFFMANN-LA ROCHE INC. (US) 2022-06-07 US disclosed
US-20200339522-A1 PHENOXYMETHYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-29 US disclosed
EP-3344619-B1 PHENOXYMETHYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-10-28 EP disclosed
US-10640472-B2 Phenoxymethyl derivatives HOFFMAN-LA ROCHE INC. (US) 2020-05-05 US disclosed
US-20180201588-A1 PHENOXYMETHYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-07-19 US disclosed
US-20050176775-A1 Substituted pyridinones PHARMACIA CORPORATION 2005-08-11 US disclosed
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 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 (5 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-20200339522-A1 PHENOXYMETHYL DERIVATIVES CNKSR1, RB1, RCOR1 CYP4F2 1130/4885CYP4A11 235/4885RXRA 189/4885
US-10640472-B2 Phenoxymethyl derivatives CNKSR1, RB1, RCOR1 CYP4F2 1130/4885CYP4A11 235/4885RXRA 189/4885
US-20180201588-A1 PHENOXYMETHYL DERIVATIVES CNKSR1, RB1, RCOR1 CYP4F2 1130/4885CYP4A11 235/4885RXRA 189/4885
US-11352330-B2 Phenoxymethyl derivatives CNKSR1, RB1, RCOR1 CYP4F2 1130/4885CYP4A11 235/4885RXRA 189/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 CYP4F2 816/4885CYP4A11 880/4885RXRA 843/4885

“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.