SCHEMBL6373887

SCHEMBL6373887

COC(=O)CCCCOc1ccc(C=c2[nH]c(=O)c(=Cc3ccccc3)[nH]c2=O)cc1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 12/20 0.78
▸ HRH3 Q9Y5N1 1/20 0.56
▸ PPARA Q07869 1/20 0.51
▸ LTA4H P09960 1/20 0.47
▸ PDE3B Q13370 2/20 0.45
▸ PDE3A Q14432 2/20 0.45
▸ P2RY12 Q9H244 2/20 0.45
▸ HDAC3 O15379 3/20 0.44
▸ HDAC4 P56524 3/20 0.44
▸ HDAC1 Q13547 3/20 0.44
▸ HDAC7 Q8WUI4 3/20 0.44
▸ HDAC2 Q92769 3/20 0.44
▸ HDAC10 Q969S8 3/20 0.44
▸ HDAC11 Q96DB2 3/20 0.44
▸ HDAC8 Q9BY41 3/20 0.44
▸ HDAC6 Q9UBN7 3/20 0.44
▸ HDAC9 Q9UKV0 3/20 0.44
▸ HDAC5 Q9UQL6 3/20 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
SCHEMBL6373881 1.00 SERPINE1 (0.78) SERPINE1HRH3PPARALTA4HPDE3B
SCHEMBL6380138 0.88 SERPINE1 (1.00) SERPINE1HRH3PPARA
SCHEMBL6380143 0.88 SERPINE1 (1.00) SERPINE1HRH3PPARA
SCHEMBL6378470 0.85 SERPINE1 (0.64) SERPINE1HRH3
SCHEMBL6378474 0.85 SERPINE1 (0.64) SERPINE1HRH3
SCHEMBL6380170 0.82 SERPINE1 (0.74) SERPINE1HRH3LTA4H
SCHEMBL6380172 0.82 SERPINE1 (0.74) SERPINE1HRH3LTA4H
Dimethylamine SCHEMBL6378373 0.79 SERPINE1 (0.65) SERPINE1HRH3
SCHEMBL6372776 0.79 SERPINE1 (0.52) SERPINE1
SCHEMBL6372771 0.79 SERPINE1 (0.52) SERPINE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1609/4885PPARA 583/4885

“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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