SCHEMBL5510451

SCHEMBL5510451

O=C(C1=Cc2cc(Br)ccc2OC1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
TP53 P04637 4/20 0.55
LMNA P02545 2/20 0.51
ALOX5 P09917 3/20 0.50
MAOB P27338 3/20 0.47
POLB P06746 2/20 0.43
NR1H4 Q96RI1 1/20 0.43
ALDH1A1 P00352 3/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40

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
SCHEMBL416748 0.84 MAPT (0.56) MAPTTP53LMNAALOX5MAOB
SCHEMBL17953082 0.82 ALDH1A1 (0.50) MAPTTP53LMNAALOX5MAOB
SCHEMBL14013658 0.82 ALOX5 (0.59) MAPTTP53ALOX5MAOBALDH1A1
SCHEMBL8545651 0.80 MAPT (0.55) MAPTTP53LMNAALOX5MAOB
SCHEMBL1758715 0.76 MAPT (0.55) MAPTTP53LMNAALOX5MAOB
SCHEMBL5207946 0.73 MAPT (0.49) MAPTTP53LMNAALOX5MAOB
SCHEMBL2818307 0.72 CCR2 (0.45) MAPTTP53LMNAALOX5MAOB
SCHEMBL28672526 0.72 ALOX5 (0.46) MAPTTP53LMNAALOX5MAOB
SCHEMBL14775630 0.71 ALOX5 (0.49) MAPTTP53LMNAALOX5MAOB
SCHEMBL28804341 0.70 ALDH1A1 (0.50) MAPTTP53LMNAALOX5MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101035521-A Cyclic and acyclic propenones for treating CNS disorders MERZ PHARMA GMBH & CO KGAA (DE) 2007-09-12 CN claimed
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
CN-101035521-A Cyclic and acyclic propenones for treating CNS disorders MERZ PHARMA GMBH & CO KGAA (DE) 2007-09-12 CN disclosed
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 MAPT 87/4885TP53 4882/4885LMNA 2359/4885

“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.