SCHEMBL5508253

SCHEMBL5508253

COc1ccc2c(c1)OCC(C(=O)C13CC4CC(CC(C4)C1)C3)=C2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.60
NR1H4 Q96RI1 2/20 0.56
SHMT2 P34897 1/20 0.47
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
RARA P10276 1/20 0.45
RARB P10826 1/20 0.45
RARG P13631 1/20 0.45
TP53 P04637 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
MAOB P27338 1/20 0.44
NPC1 O15118 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
P2RX7 Q99572 2/20 0.43
KMT2A Q03164 3/20 0.42

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
SCHEMBL8266570 0.86 ALOX5 (0.50) ALOX5NR1H4SHMT2CA12CA9
SCHEMBL5508079 0.83 CCR2 (0.41) ALOX5NR1H4RARARARBRARG
SCHEMBL5508964 0.82 ALOX5 (0.45) ALOX5NR1H4SHMT2RARARARB
SCHEMBL5508180 0.81 NPC1 (0.44) ALOX5RARARARBRARGTP53
SCHEMBL5505018 0.80 ALOX5 (0.51) ALOX5TP53LMNAMAOBNPC1
SCHEMBL10470600 0.79 ALOX5 (0.71) ALOX5NR1H4SHMT2CA12CA9
SCHEMBL432850 0.79 ALOX5 (0.71) ALOX5NR1H4SHMT2CA12CA9
SCHEMBL5508095 0.78 ALDH1A1 (0.40) ALOX5NR1H4RARARARBRARG
SCHEMBL5505713 0.77 ALDH1A1 (0.40) ALOX5NR1H4RARARARBRARG
SCHEMBL5504699 0.77 ALDH1A1 (0.44) ALOX5NR1H4RARARARGLMNA

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-1804781-A1 NOVEL CYCLIC AND ACYCLIC PROPENONES FOR TREATING CNS DISORDERS Merz Pharma GmbH & Co.KGaA (DE) 2007-07-11 EP claimed
WO-2006037996-A1 NOVEL CYCLIC AND ACYCLIC PROPENONES FOR TREATING CNS DISORDERS MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-13 WO claimed
US-20060074083-A1 Cyclic and acyclic propenones for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-06 US claimed
EP-1804781-A1 NOVEL CYCLIC AND ACYCLIC PROPENONES FOR TREATING CNS DISORDERS Merz Pharma GmbH & Co.KGaA (DE) 2007-07-11 EP disclosed
WO-2006037996-A1 NOVEL CYCLIC AND ACYCLIC PROPENONES FOR TREATING CNS DISORDERS MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-13 WO disclosed
US-20060074083-A1 Cyclic and acyclic propenones for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-06 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-20060074083-A1 Cyclic and acyclic propenones for treating CNS disorders PMP22, ADCYAP1R1, CYP11B2 ALOX5 1460/4885NR1H4 381/4885SHMT2 536/4885

“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.