SCHEMBL6374494

SCHEMBL6374494

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 4/20 0.70
▸ CLK1 P49759 2/20 0.47
▸ DYRK1A Q13627 2/20 0.47
▸ CSNK2A2 P19784 1/20 0.47
▸ CSNK2B P67870 1/20 0.47
▸ CSNK2A1 P68400 1/20 0.47
▸ DYRK2 Q92630 1/20 0.47
▸ DYRK1B Q9Y463 1/20 0.47
▸ TRPV1 Q8NER1 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ METAP1 P53582 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ PIM1 P11309 1/20 0.44
▸ AKR1B1 P15121 1/20 0.44
▸ PIM2 Q9P1W9 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ APEX1 P27695 1/20 0.44

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
SCHEMBL6374498 1.00 SERPINE1 (0.70) SERPINE1CLK1DYRK1ACSNK2A2CSNK2B
SCHEMBL6371865 0.83 SERPINE1 (0.62) SERPINE1TRPV1CYP1A2RAF1CDK1
SCHEMBL6372616 0.83 SERPINE1 (1.00) SERPINE1CLK1DYRK1AMAPTMETAP1
SCHEMBL6371870 0.83 SERPINE1 (0.62) SERPINE1TRPV1CYP1A2RAF1CDK1
SCHEMBL6372620 0.83 SERPINE1 (1.00) SERPINE1CLK1DYRK1AMAPTMETAP1
SCHEMBL6379176 0.81 SERPINE1 (0.74) SERPINE1CLK1DYRK1AMAPTMETAP1
SCHEMBL6379183 0.81 SERPINE1 (0.74) SERPINE1CLK1DYRK1AMAPTMETAP1
SCHEMBL6374330 0.80 SERPINE1 (0.63) SERPINE1CLK1DYRK1AMAPTMETAP1
SCHEMBL6374340 0.80 SERPINE1 (0.63) SERPINE1CLK1DYRK1AMAPTMETAP1
SCHEMBL79249 0.79 CYP1A2 (0.73) SERPINE1CLK1DYRK1ACSNK2A2CSNK2B

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 8 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
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-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 1257/4885CLK1 1318/4885DYRK1A 2142/4885

“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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