SCHEMBL5505992

SCHEMBL5505992

COc1ccc2oc(C(=O)C34CC5CC(CC(C5)C3)C4)cc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.53
TAS1R3 Q7RTX0 8/20 0.51
TAS1R1 Q7RTX1 8/20 0.51
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CA2 P00918 2/20 0.47
MAPT P10636 1/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA3 P07451 1/20 0.47
HPGD P15428 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47

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
SCHEMBL5510096 0.90 CYP2D6 (0.49) KDM4EALDH1A1CA2MAPTCASP3
SCHEMBL8265985 0.85 TAS1R3 (0.43) CASP1TAS1R3TAS1R1KDM4EALDH1A1
SCHEMBL4708955 0.84 CASP1 (0.66) CASP1KDM4EALDH1A1CA2MAPT
SCHEMBL5507387 0.82 PIM1 (0.56) KDM4EALDH1A1CA2MAPTCA12
SCHEMBL5505983 0.80 MAPT (0.58) ALDH1A1MAPTCASP3SENP7TDP1
SCHEMBL8311483 0.78 TAS1R3 (0.60) TAS1R3TAS1R1KDM4EALDH1A1CA2
SCHEMBL5508176 0.78 POLB (0.49) KDM4EALDH1A1CA2MAPTTDP1
SCHEMBL31060243 0.77 FLT3 (0.71) TAS1R3TAS1R1KDM4EALDH1A1CA2
SCHEMBL1287553 0.76 KDM4E (0.66) CASP1TAS1R3TAS1R1KDM4EALDH1A1
SCHEMBL5806070 0.76 TAS1R3 (0.62) TAS1R3TAS1R1KDM4EALDH1A1CA2

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 CASP1 2249/4885TAS1R3 4370/4885TAS1R1 4419/4885

“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.