SCHEMBL6371874

SCHEMBL6371874

COc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccccc3)[nH]c2=O)cc1OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 1/20 0.68
▸ CYP1A1 P04798 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP1B1 Q16678 1/20 0.55
▸ PIM1 P11309 2/20 0.52
▸ PIM3 Q86V86 2/20 0.52
▸ PDE4B Q07343 1/20 0.52
▸ PIM2 Q9P1W9 1/20 0.52
▸ KMT2A Q03164 8/20 0.50
▸ LMNA P02545 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ PLIN1 O60240 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ PLIN5 Q00G26 1/20 0.50
▸ ABHD5 Q8WTS1 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ NCOA3 Q9Y6Q9 1/20 0.50
▸ MEN1 O00255 5/20 0.49
▸ ALDH1A1 P00352 5/20 0.49

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
SCHEMBL6371886 1.00 SERPINE1 (0.68) SERPINE1CYP1A1CYP1A2CYP1B1PIM1
SCHEMBL6376547 0.88 SERPINE1 (0.68) SERPINE1CYP1A1CYP1A2CYP1B1PIM1
SCHEMBL6376553 0.88 SERPINE1 (0.68) SERPINE1CYP1A1CYP1A2CYP1B1PIM1
Hydrochloric Acid SCHEMBL8426169 0.83 SERPINE1 (0.56) SERPINE1KMT2AMEN1
Hydrochloric Acid SCHEMBL8426167 0.83 SERPINE1 (0.56) SERPINE1KMT2AMEN1
SCHEMBL6372620 0.81 SERPINE1 (1.00) SERPINE1CYP1A2PIM1PIM2MAPT
SCHEMBL6372616 0.81 SERPINE1 (1.00) SERPINE1CYP1A2PIM1PIM2MAPT
SCHEMBL6380159 0.79 SERPINE1 (0.70) SERPINE1CYP1A2PIM1PIM3PIM2
SCHEMBL6373509 0.79 SERPINE1 (0.70) SERPINE1CYP1A2PIM1PIM3PIM2
SCHEMBL6373505 0.79 SERPINE1 (0.70) SERPINE1CYP1A2PIM1PIM3PIM2

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 6 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
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 1257/4885CYP1A1 848/4885CYP1A2 378/4885

“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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