SCHEMBL6372931

SCHEMBL6372931

O=C(O)COc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccccc3)[nH]c2=O)cc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 8/20 0.74
▸ HRH3 Q9Y5N1 1/20 0.56
▸ GPR35 Q9HC97 1/20 0.56
▸ ALOX15 P16050 1/20 0.53
▸ FFAR1 O14842 1/20 0.49
▸ AKR1B1 P15121 1/20 0.48
▸ PTPN22 Q9Y2R2 1/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ PTPN7 P35236 1/20 0.48
▸ PTPN12 Q05209 1/20 0.48

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
SCHEMBL6372934 1.00 SERPINE1 (0.74) SERPINE1HRH3GPR35ALOX15FFAR1
SCHEMBL6378474 0.87 SERPINE1 (0.64) SERPINE1HRH3PTPN22MEN1KMT2A
SCHEMBL6378470 0.87 SERPINE1 (0.64) SERPINE1HRH3PTPN22MEN1KMT2A
SCHEMBL6380138 0.84 SERPINE1 (1.00) SERPINE1HRH3FFAR1AKR1B1
SCHEMBL6380143 0.84 SERPINE1 (1.00) SERPINE1HRH3FFAR1AKR1B1
SCHEMBL6375268 0.82 SERPINE1 (0.70) SERPINE1HRH3MEN1KMT2AALDH1A1
SCHEMBL6375264 0.82 SERPINE1 (0.70) SERPINE1HRH3MEN1KMT2AALDH1A1
SCHEMBL6380172 0.80 SERPINE1 (0.74) SERPINE1HRH3MEN1KMT2AMAPT
SCHEMBL6380170 0.80 SERPINE1 (0.74) SERPINE1HRH3MEN1KMT2AMAPT
Dimethylamine SCHEMBL6375602 0.79 SERPINE1 (0.65) SERPINE1HRH3MEN1KMT2AALDH1A1

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
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
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 1257/4885HRH3 1609/4885GPR35 1456/4885

“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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