SCHEMBL5509239

SCHEMBL5509239

COc1cc(C=CC(=O)C23CC4CC(CC(C4)C2)C3)cc(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
GAA P10253 2/20 0.56
HTT P42858 2/20 0.56
KDM4E B2RXH2 2/20 0.56
HTR1A P08908 2/20 0.56
HPGD P15428 2/20 0.56
HTR2C P28335 1/20 0.56
HSD17B10 Q99714 1/20 0.56
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
TOP2A P11388 1/20 0.53
ABCB1 P08183 1/20 0.49
KRAS P01116 5/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
PSMB11 A5LHX3 1/20 0.48

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
SCHEMBL16052805 1.00 ALDH1A1 (0.56) ALDH1A1GAAHTTKDM4EHTR1A
SCHEMBL17447204 0.86 ALDH1A1 (0.51) ALDH1A1GAAHTTKDM4EHTR1A
SCHEMBL8267947 0.85 KMT2A (0.49) ALDH1A1GAAHTTKDM4EHTR1A
SCHEMBL5504507 0.83 MEN1 (0.50) ALDH1A1GAAHTTKMT2ASMN1; SMN2
SCHEMBL17448530 0.81 ALDH1A1 (0.50) ALDH1A1GAAHTTKDM4EHTR1A
SCHEMBL4728511 0.81 ALDH1A1 (0.61) ALDH1A1GAAHTTKDM4EHPGD
SCHEMBL6093637 0.78 F3 (0.55) ALDH1A1GAAHTTKMT2ASMN1; SMN2
SCHEMBL8637989 0.78 ALDH1A1 (0.72) ALDH1A1GAAHTTKDM4EHTR1A
SCHEMBL8637983 0.78 ALDH1A1 (0.72) ALDH1A1GAAHTTKDM4EHTR1A
SCHEMBL5505977 0.76 MAOB (0.53) ALDH1A1GAAHTTKDM4EHPGD

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 9 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
US-20160016860-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS DUBLIN CITY UNIVERSITY (IE) 2016-01-21 US disclosed
EP-2970347-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS Dublin City University (IE) 2016-01-20 EP disclosed
WO-2014140353-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS DUBLIN CITY UNIVERSITY (IE) 2014-09-18 WO 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 (2 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-20160016860-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS DCXR, TECR, PWWP2B ALDH1A1 4341/4885GAA 326/4885HTT 4269/4885
US-20060074083-A1 Cyclic and acyclic propenones for treating CNS disorders PMP22, ADCYAP1R1, CYP11B2 ALDH1A1 934/4885GAA 3228/4885HTT 244/4885

“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.