SCHEMBL5507380

SCHEMBL5507380

Cn1c(C(=O)C(C)(C)C)cc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.78
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
SRD5A1 P18405 1/20 0.51
LTB4R Q15722 1/20 0.51
LTB4R2 Q9NPC1 1/20 0.51
GALR3 O60755 1/20 0.50
GAA P10253 1/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAOA P21397 1/20 0.47
ALOX5 P09917 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL4470968 0.88 SRD5A2 (1.00) SRD5A2MEN1KMT2ANPC1RAB9A
SCHEMBL6087478 0.85 SRD5A2 (0.81) SRD5A2MEN1KMT2ANPC1RAB9A
SCHEMBL4464733 0.85 SRD5A2 (0.81) SRD5A2MEN1KMT2ANPC1RAB9A
SCHEMBL4023414 0.83 SRD5A2 (0.78) SRD5A2MEN1KMT2ANPC1RAB9A
SCHEMBL8687408 0.82 SRD5A2 (0.76) SRD5A2MEN1KMT2ANPC1RAB9A
SCHEMBL5509218 0.81 SRD5A2 (0.73) SRD5A2MEN1KMT2ANPC1RAB9A
SCHEMBL5507214 0.80 SRD5A2 (0.71) SRD5A2MEN1KMT2ANPC1RAB9A
SCHEMBL2195992 0.79 SRD5A2 (0.64) SRD5A2MEN1KMT2ANPC1RAB9A
SCHEMBL9240574 0.78 SRD5A2 (0.70) SRD5A2MEN1KMT2ANPC1RAB9A
SCHEMBL12420783 0.78 SRD5A2 (0.69) SRD5A2MEN1KMT2ANPC1RAB9A

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 SRD5A2 579/4885MEN1 774/4885KMT2A 2600/4885

“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.