SCHEMBL3972255

SCHEMBL3972255

CCCCc1oc2ccccc2c1C(=O)Nc1ccc(-c2ccc(OC(C)C(=O)O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.55
SIRT3 Q9NTG7 6/20 0.54
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
NR1H4 Q96RI1 1/20 0.47
EYA3 Q99504 2/20 0.46
CYP1A2 P05177 1/20 0.46
GAA P10253 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM5A P29375 1/20 0.45
KDM7A Q6ZMT4 1/20 0.45
TTR P02766 1/20 0.43

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
SCHEMBL5983412 0.88 PTPN1 (0.73) PTPN1SIRT3
SCHEMBL3970308 0.88 PTPN1 (0.73) PTPN1SIRT3
SCHEMBL3972664 0.85 PTPN1 (0.70) PTPN1SIRT3NR1H4EYA3KDM5A
SCHEMBL3973517 0.83 PTPN1 (0.66) PTPN1SIRT3NR1H4EYA3CYP2C9
SCHEMBL5987451 0.83 SIRT3 (0.54) PTPN1SIRT3NR1H4EYA3KDM5A
SCHEMBL31314642 0.83 SIRT3 (0.64) PTPN1SIRT3NR1H4EYA3KDM5A
SCHEMBL3968618 0.81 SIRT3 (0.57) PTPN1SIRT3NR1H4EYA3KDM5A
SCHEMBL3974575 0.81 PTPN1 (0.64) PTPN1SIRT3
SCHEMBL3971819 0.78 SIRT3 (0.51) PTPN1SIRT3MAPTNR1H4EYA3
SCHEMBL3973525 0.76 PTPN1 (0.48) PTPN1SIRT3NR1H4EYA3TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534894-B2 Biphenyloxy-acids WYETH (US) 2009-05-19 US disclosed
US-20060020003-A1 Biphenyloxy-acids WYETH (US) 2006-01-26 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-20060020003-A1 Biphenyloxy-acids AHR, ARNT, NR1H4 PTPN1 1495/4885SIRT3 2700/4885TP53 1954/4885

“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.