SCHEMBL3943205

SCHEMBL3943205

O=C(O)/C=C/C=C(/c1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN12 Q05209 1/20 0.45
PTPN22 Q9Y2R2 1/20 0.45
PTAFR P25105 1/20 0.43
ALDH1A1 P00352 5/20 0.43
TSHR P16473 2/20 0.43
MAPT P10636 5/20 0.42
LMNA P02545 3/20 0.42
PHGDH O43175 1/20 0.42
RAB9A P51151 2/20 0.42
HTT P42858 1/20 0.42
MAOB P27338 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
PYGL P06737 1/20 0.41
NTSR1 P30989 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL3943212 1.00 TP53 (0.47) TP53CES2CES1PTPN1PTPN12
SCHEMBL3943215 1.00 TP53 (0.47) TP53CES2CES1PTPN1PTPN12
SCHEMBL3940663 0.88 TP53 (0.59) TP53CES2CES1PTPN1PTPN12
SCHEMBL3940656 0.88 TP53 (0.59) TP53CES2CES1PTPN1PTPN12
SCHEMBL3945472 0.83 MAOB (0.51) CES2CES1PTPN1RAB9AMAOB
SCHEMBL3944874 0.83 MAOB (0.51) CES2CES1PTPN1RAB9AMAOB
SCHEMBL3944870 0.83 MAOB (0.51) CES2CES1PTPN1RAB9AMAOB
SCHEMBL3945568 0.82 MAOB (0.43) CES2CES1PTAFRALDH1A1MAOB
SCHEMBL3948261 0.82 NPC1 (0.48) CES2CES1ALDH1A1MAPTLMNA
SCHEMBL3948258 0.82 NPC1 (0.48) CES2CES1ALDH1A1MAPTLMNA

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-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 US disclosed
EP-2050734-A1 PENTADIENAMIDE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-04-22 EP 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-20090203667-A1 PENTADIENAMIDE DERIVATIVES PRMT1, REN, NGLY1 TP53 2799/4885CES2 3693/4885CES1 2445/4885

“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.