SCHEMBL5824304

SCHEMBL5824304

CCCCC=C1C(=O)C=CC1=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 4/20 0.50
NFKB2 Q00653 4/20 0.50
RELA Q04206 4/20 0.50
TSHR P16473 3/20 0.44
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
MGLL Q99685 4/20 0.35
FAAH O00519 4/20 0.34
PTGS1 P23219 3/20 0.33
PTGS2 P35354 3/20 0.33
TRPV1 Q8NER1 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CCR6 P51684 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL29029409 0.73 TSHR (0.44) NFKB1NFKB2RELATSHRALDH1A1
SCHEMBL8074509 0.70 TSHR (0.41) NFKB1NFKB2RELATSHRCCR6
SCHEMBL20786806 0.68 PTPN1 (0.46) TSHRALDH1A1L3MBTL1
SCHEMBL28015795 0.67 SLC6A2 (0.42) NFKB1TSHRACHEALDH1A1KDM4E
Pentanal SCHEMBL264255 0.66
SCHEMBL9461285 0.65 TSHR (0.39) NFKB1NFKB2RELATSHRALDH1A1
SCHEMBL27572070 0.65 TYR (0.50) NFKB1NFKB2RELATSHRFAAH
SCHEMBL26089455 0.65 TYR (0.50) NFKB1NFKB2RELATSHRFAAH
SCHEMBL27636950 0.65 TYR (0.50) NFKB1NFKB2RELATSHRFAAH
SCHEMBL27825897 0.65 TYR (0.50) NFKB1NFKB2RELATSHRFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006151879-A ANGIOGENESIS INHIBITOR UNIV OF TOKUSHIMA 2006-06-15 JP disclosed
US-20030186941-A1 Cyclopenteneone derivatives CHARTERHOUSE THERAPEUTICS LTD. (GB) 2003-10-02 US disclosed
EP-1240171-A1 CYCLOPENTENEONE DERIVATIVES Charterhouse Therapeutics Ltd. (GB) 2002-09-18 EP disclosed
WO-2001044254-A1 CYCLOPENTENEONE DERIVATIVES CHARTERHOUSE THERAPEUTICS LTD. (GB) 2001-06-21 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-20030186941-A1 Cyclopenteneone derivatives HAVCR2, ZC3HAV1, MALT1 NFKB1 232/4885NFKB2 181/4885RELA 206/4885

“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.