SCHEMBL5503758

SCHEMBL5503758

CC(C)(C)C(=O)C=Cc1cnc2ccccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.69
KMT2A Q03164 4/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
KDM4E B2RXH2 3/20 0.67
PDGFRB P09619 1/20 0.56
PDGFRA P16234 1/20 0.56
ALDH1A1 P00352 4/20 0.55
MEN1 O00255 2/20 0.55
NPC1 O15118 2/20 0.55
LMNA P02545 3/20 0.53
GAA P10253 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
MAPT P10636 1/20 0.53
PPARA Q07869 1/20 0.48
MGAM O43451 1/20 0.45
CYP3A4 P08684 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44

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
SCHEMBL5503755 1.00 RAB9A (0.69) RAB9AKMT2ASMN1; SMN2KDM4EPDGFRB
SCHEMBL6421753 0.84 RAB9A (0.75) RAB9AKMT2ASMN1; SMN2KDM4EPDGFRB
SCHEMBL6421749 0.84 RAB9A (0.75) RAB9AKMT2ASMN1; SMN2KDM4EPDGFRB
SCHEMBL21040481 0.83 KDM4E (0.70) RAB9AKMT2ASMN1; SMN2KDM4EPDGFRB
SCHEMBL30487516 0.82 KDM4E (0.74) RAB9AKMT2ASMN1; SMN2KDM4EPDGFRB
SCHEMBL6070393 0.82 KDM4E (0.74) RAB9AKMT2ASMN1; SMN2KDM4EPDGFRB
SCHEMBL6070391 0.82 KDM4E (0.74) RAB9AKMT2ASMN1; SMN2KDM4EPDGFRB
SCHEMBL29733054 0.82 KDM4E (0.74) RAB9AKMT2ASMN1; SMN2KDM4EPDGFRB
SCHEMBL372256 0.82 RAB9A (1.00) RAB9AKMT2ASMN1; SMN2KDM4EPDGFRB
SCHEMBL17461333 0.82 RAB9A (1.00) RAB9AKMT2ASMN1; SMN2KDM4EPDGFRB

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 RAB9A 3821/4885KMT2A 2600/4885SMN1; SMN2 323/4885

“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.