SCHEMBL6374330

SCHEMBL6374330

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

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 4/20 0.63
▸ ELANE P08246 10/20 0.47
▸ PRKCA P17252 1/20 0.42
▸ PRKCE Q02156 1/20 0.42
▸ RASGRP3 Q8IV61 1/20 0.42
▸ METAP1 P53582 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PIM1 P11309 1/20 0.40
▸ AKR1B1 P15121 1/20 0.40
▸ PIM2 Q9P1W9 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CLK1 P49759 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ DYRK1A Q13627 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
SCHEMBL6374340 1.00 SERPINE1 (0.63) SERPINE1ELANEPRKCAPRKCERASGRP3
SCHEMBL6373443 0.85 SERPINE1 (0.68) SERPINE1METAP1MAPTKMT2APIM1
SCHEMBL6373441 0.85 SERPINE1 (0.68) SERPINE1METAP1MAPTKMT2APIM1
SCHEMBL6375259 0.84 KMT2A (0.48) SERPINE1ELANEMAPTKMT2ANPC1
SCHEMBL6375243 0.84 KMT2A (0.48) SERPINE1ELANEMAPTKMT2ANPC1
SCHEMBL8492220 0.83 SERPINE1 (0.59) SERPINE1METAP1MAPTKMT2ARAB9A
SCHEMBL8492223 0.83 SERPINE1 (0.59) SERPINE1METAP1MAPTKMT2ARAB9A
SCHEMBL6379176 0.83 SERPINE1 (0.74) SERPINE1METAP1MAPTKMT2APIM1
SCHEMBL6379183 0.83 SERPINE1 (0.74) SERPINE1METAP1MAPTKMT2APIM1
SCHEMBL6374498 0.80 SERPINE1 (0.70) SERPINE1METAP1MAPTPIM1AKR1B1

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 1257/4885ELANE 4436/4885PRKCA 1729/4885

“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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