SCHEMBL17618301

SCHEMBL17618301

O=C(c1cccc(C(=O)N2Cc3ccccc3C2)c1)N1Cc2ccccc2C1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 9/20 0.65
HSP90B1 P14625 7/20 0.65
ALDH1A1 P00352 1/20 0.62
HPGD P15428 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
HSP90AA1 P07900 7/20 0.58
HSP90AB1 P08238 5/20 0.58
NAMPT P43490 2/20 0.56
USP2 O75604 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
NOTUM Q6P988 1/20 0.53

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
SCHEMBL1947639 0.88 TRAP1 (0.56) TRAP1HSP90B1ALDH1A1HPGDSMN1; SMN2
SCHEMBL12569373 0.88 HPGD (0.64) TRAP1HSP90B1ALDH1A1HPGDSMN1; SMN2
SCHEMBL10187377 0.88 TRAP1 (0.56) TRAP1HSP90B1ALDH1A1HPGDSMN1; SMN2
SCHEMBL4167985 0.88 NAMPT (0.64) TRAP1HSP90B1ALDH1A1HPGDSMN1; SMN2
SCHEMBL31047650 0.84 L3MBTL1 (0.63) TRAP1HSP90B1ALDH1A1HPGDSMN1; SMN2
SCHEMBL7904938 0.84 HSP90AA1 (0.53) TRAP1HSP90B1ALDH1A1HPGDSMN1; SMN2
SCHEMBL12545677 0.84 HSP90AA1 (0.62) TRAP1HSP90B1ALDH1A1HPGDSMN1; SMN2
SCHEMBL27924000 0.84 NAMPT (0.63) TRAP1HSP90B1ALDH1A1HPGDSMN1; SMN2
SCHEMBL29367465 0.82 NAMPT (0.62) TRAP1HSP90B1ALDH1A1HPGDSMN1; SMN2
SCHEMBL1695970 0.81 HSP90AA1 (0.52) TRAP1HSP90B1ALDH1A1HPGDSMN1; SMN2

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-20220073699-A1 OXYGEN SCAVENGERS, COMPOSITIONS COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS WELLS FARGO BANK, N.A., AS ADMINISTRATIVE AGENT 2022-03-10 US disclosed
US-10988597-B2 Oxygen scavengers, compositions comprising the scavengers, and articles made from the compositions PLASTIPAK PACKAGING, INC. (US) 2021-04-27 US disclosed
US-20200131334-A1 OXYGEN SCAVENGERS, COMPOSITIONS COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS WELLS FARGO BANK, N.A., AS ADMINISTRATIVE AGENT 2020-04-30 US disclosed
US-10316167-B2 Oxygen scavengers, compositions comprising the scavengers, and articles made from the compositions PLASTIPAK PACKAGING (US) 2019-06-11 US disclosed
WO-2016044722-A1 OXYGEN SCAVENGERS, COMPOSITIONS COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS PLASTIPAK PACKAGING, INC. (US) 2016-03-24 WO disclosed
US-20160083558-A1 OXYGEN SCAVENGERS, COMPOSITIONS COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS PLASTIPAK PACKAGING, INC. (US) 2016-03-24 US disclosed
US-20160083558-A1 OXYGEN SCAVENGERS, COMPOSITIONS COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS PLASTIPAK PACKAGING, INC. (US) 2016-03-24 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 (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-20160083558-A1 OXYGEN SCAVENGERS, COMPOSITIONS COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS PRDX5, LPO, CAT TRAP1 159/4885HSP90B1 1296/4885ALDH1A1 1494/4885
US-10316167-B2 Oxygen scavengers, compositions comprising the scavengers, and articles made from the compositions PRDX5, LPO, CAT TRAP1 159/4885HSP90B1 1296/4885ALDH1A1 1494/4885
US-20200131334-A1 OXYGEN SCAVENGERS, COMPOSITIONS COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS PRDX5, LPO, CAT TRAP1 159/4885HSP90B1 1296/4885ALDH1A1 1494/4885
US-10988597-B2 Oxygen scavengers, compositions comprising the scavengers, and articles made from the compositions PRDX5, LPO, CAT TRAP1 159/4885HSP90B1 1296/4885ALDH1A1 1494/4885
US-20220073699-A1 OXYGEN SCAVENGERS, COMPOSITIONS COMPRISING THE SCAVENGERS, AND ARTICLES MADE FROM THE COMPOSITIONS PRDX5, LPO, CAT TRAP1 159/4885HSP90B1 1296/4885ALDH1A1 1494/4885

“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.