SCHEMBL13595802

SCHEMBL13595802

CC(=O)Oc1ccc(C(C)(C)C)c(O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.58
LMNA P02545 2/20 0.50
NR1H4 Q96RI1 4/20 0.47
ATM Q13315 2/20 0.47
ESRRA P11474 1/20 0.46
KDM4E B2RXH2 3/20 0.45
MAPT P10636 4/20 0.44
POLB P06746 2/20 0.44
ACHE P22303 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
ALOX15 P16050 1/20 0.43
ATP2A2 P16615 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ATP2A3 Q93084 1/20 0.43
GAA P10253 1/20 0.43
XBP1 P17861 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PKM P14618 1/20 0.42

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
SCHEMBL4641599 0.89 NR1H4 (0.47) CYP3A4LMNANR1H4ATMESRRA
SCHEMBL4641597 0.87 NR1H4 (0.48) CYP3A4LMNANR1H4ATMESRRA
SCHEMBL11143326 0.86 ESRRA (0.62) CYP3A4LMNANR1H4ATMESRRA
SCHEMBL24436823 0.84 CYP3A4 (0.51) CYP3A4LMNAKDM4EMAPTPOLB
SCHEMBL21718425 0.82 ACHE (0.51) CYP3A4LMNANR1H4ATMESRRA
SCHEMBL21718987 0.82 CYP3A4 (0.49) CYP3A4LMNAKDM4EMAPTPOLB
SCHEMBL4641620 0.81 ELANE (0.54) CYP3A4LMNANR1H4ATMESRRA
SCHEMBL29043243 0.81 ACHE (0.48) NR1H4ATMESRRAKDM4EMAPT
SCHEMBL21718848 0.81 CYP3A4 (0.47) CYP3A4LMNANR1H4ATMESRRA
SCHEMBL4640552 0.81 CYP3A4 (0.47) CYP3A4LMNANR1H4ESRRAKDM4E

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-20090318667-A1 Peptoid compositions and methods of using the same NEW YORK UNIVERSITY 2009-12-24 US disclosed
US-20090318667-A1 Peptoid compositions and methods of using the same NEW YORK UNIVERSITY 2009-12-24 US disclosed
WO-2009139922-A2 PEPTOID COMPOSITIONS AND METHODS OF USING THE SAME NEW YORK UNIVERSITY SCHOOL OF MEDICINE (US) 2009-11-19 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-20090318667-A1 Peptoid compositions and methods of using the same PEPD, NGLY1, ANPEP CYP3A4 1335/4885LMNA 2533/4885NR1H4 1307/4885

“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.