SCHEMBL5508280

SCHEMBL5508280

CCN(CC)c1ccc2cc(C(=O)c3ccc(C)cc3)oc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.59
ALDH1A1 P00352 7/20 0.59
HPGD P15428 6/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 2/20 0.59
MAOB P27338 3/20 0.57
KMT2A Q03164 9/20 0.56
MEN1 O00255 8/20 0.56
MAPK1 P28482 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
PKM P14618 1/20 0.56
ATM Q13315 4/20 0.55
GAA P10253 1/20 0.54
KDM4E B2RXH2 5/20 0.53
USP2 O75604 2/20 0.53
HSD17B10 Q99714 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
SLC16A3 O15427 1/20 0.53

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
SCHEMBL5504661 0.89 KMT2A (0.55) MAPTALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL10613822 0.88 MAOB (0.72) MAPTALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL5503728 0.85 MAPT (0.58) MAPTALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL5503783 0.81 KMT2A (0.49) MAPTALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL11860823 0.81 KMT2A (0.71) MAPTALDH1A1HPGDSMN1; SMN2MAOB
SCHEMBL5599540 0.81 ALDH1A1 (0.68) MAPTALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL9612784 0.79 MAOB (0.71) MAPTALDH1A1HPGDSMN1; SMN2MAOB
SCHEMBL5507230 0.79 MAOB (0.54) MAPTALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL11863208 0.79 MAPT (0.60) MAPTALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL5506017 0.78 ALDH1A1 (0.51) MAPTALDH1A1HPGDSMN1; SMN2MAOB

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 7 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
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 87/4885ALDH1A1 934/4885HPGD 430/4885

“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.