SCHEMBL6379176

SCHEMBL6379176

COc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccc(O)cc3)[nH]c2=O)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 3/20 0.74
▸ ALOX5 P09917 1/20 0.49
▸ MAPT P10636 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ P4HB P07237 1/20 0.48
▸ CALM1 P0DP23 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ F3 P13726 1/20 0.48
▸ XDH P47989 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ S100B P04271 1/20 0.47
▸ METAP1 P53582 1/20 0.47
▸ LTA4H P09960 1/20 0.47
▸ ESR2 Q92731 1/20 0.47
▸ HSD17B3 P37058 1/20 0.47
▸ KIT P10721 1/20 0.47
▸ CES2 O00748 1/20 0.47
▸ CYP26A1 O43174 1/20 0.47
▸ MIF P14174 1/20 0.47

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
SCHEMBL6379183 1.00 SERPINE1 (0.74) SERPINE1ALOX5MAPTRAB9AP4HB
SCHEMBL6372620 0.85 SERPINE1 (1.00) SERPINE1MAPTRAB9AMETAP1PIM1
SCHEMBL6372616 0.85 SERPINE1 (1.00) SERPINE1MAPTRAB9AMETAP1PIM1
SCHEMBL6373888 0.84 SERPINE1 (0.58) SERPINE1HSD17B3KITCES2CYP26A1
SCHEMBL6373878 0.84 SERPINE1 (0.58) SERPINE1HSD17B3KITCES2CYP26A1
SCHEMBL6373441 0.83 SERPINE1 (0.68) SERPINE1MAPTRAB9AMEN1ALDH1A1
SCHEMBL6373443 0.83 SERPINE1 (0.68) SERPINE1MAPTRAB9AMEN1ALDH1A1
SCHEMBL6374330 0.83 SERPINE1 (0.63) SERPINE1MAPTRAB9AKMT2AMETAP1
SCHEMBL6374340 0.83 SERPINE1 (0.63) SERPINE1MAPTRAB9AKMT2AMETAP1
SCHEMBL8594122 0.82 SERPINE1 (0.67) SERPINE1MAPTRAB9AALDH1A1F3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0655060-B1 PHARMACEUTICALLY ACTIVE DIKETOPIPERAZINES XENOVA LTD (GB) 1998-01-14 — — EP claimed
EP-0655060-A1 PHARMACEUTICALLY ACTIVE DIKETOPIPERAZINES XENOVA LIMITED (GB) 1995-05-31 — — EP claimed
WO-1994004512-A1 PHARMACEUTICALLY ACTIVE DIKETOPIPERAZINES XENOVA LIMITED (GB) 1994-03-03 — — WO claimed
US-20050249681-A1 Use of diketopiperazine derivatives as photostable uv-filters in cosmetic and pharmaceutical preparations BASF AKTIENGESELLSCHAFT (DE) 2005-11-10 — — US disclosed
US-5902812-A Pharmaceutical piperazine compounds XENOVA LIMITED (GB) 1999-05-11 — — US disclosed
US-5891877-A INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR XENOVA LIMITED (GB) 1999-04-06 — — US disclosed
EP-0655060-B1 PHARMACEUTICALLY ACTIVE DIKETOPIPERAZINES XENOVA LTD (GB) 1998-01-14 — — EP disclosed
US-5700804-A INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITORS XENOVA LIMITED (GB) 1997-12-23 — — US disclosed
EP-0745069-A1 PHARMACEUTICAL PIPERAZINE COMPOUNDS XENOVA LIMITED (GB) 1996-12-04 — — EP disclosed
EP-0745070-A1 PHARMACEUTICAL PIPERAZINE COMPOUNDS XENOVA LIMITED (GB) 1996-12-04 — — EP disclosed
WO-1995021832-A1 PHARMACEUTICAL PIPERAZINE COMPOUNDS XENOVA LIMITED (GB) 1995-08-17 — — WO disclosed
WO-1995021829-A1 PHARMACEUTICAL PIPERAZINE COMPOUNDS XENOVA LIMITED (GB) 1995-08-17 — — WO disclosed
EP-0655060-A1 PHARMACEUTICALLY ACTIVE DIKETOPIPERAZINES XENOVA LIMITED (GB) 1995-05-31 — — EP disclosed
WO-1994004512-A1 PHARMACEUTICALLY ACTIVE DIKETOPIPERAZINES XENOVA LIMITED (GB) 1994-03-03 — — 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 (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-20050249681-A1 Use of diketopiperazine derivatives as photostable uv-filters in cosmetic and pharmaceutical preparations DHPS, MC1R, MITF SERPINE1 1257/4885ALOX5 1696/4885MAPT 820/4885

“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.

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