SCHEMBL5508079

SCHEMBL5508079

O=C(C1=Cc2ccc(Br)cc2OC1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.41
RARA P10276 2/20 0.40
RARG P13631 2/20 0.40
ALOX5 P09917 3/20 0.39
CSNK1A1 P48729 1/20 0.39
CRBN Q96SW2 1/20 0.39
IKZF2 Q9UKS7 1/20 0.39
TP53 P04637 4/20 0.38
MAPT P10636 3/20 0.38
P2RX4 Q99571 1/20 0.38
RARB P10826 1/20 0.38
LMNA P02545 2/20 0.38
NR1H4 Q96RI1 1/20 0.37
POLB P06746 1/20 0.36
P2RX7 Q99572 1/20 0.36
HPGD P15428 1/20 0.34
CNR2 P34972 1/20 0.33

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
SCHEMBL8267970 0.86 CCR2 (0.38) CCR2RARARARGALOX5CSNK1A1
SCHEMBL5508253 0.83 ALOX5 (0.60) RARARARGALOX5CSNK1A1CRBN
SCHEMBL5508964 0.82 ALOX5 (0.45) RARARARGALOX5TP53RARB
SCHEMBL5505018 0.82 ALOX5 (0.51) ALOX5TP53MAPTLMNAHPGD
SCHEMBL5508180 0.80 NPC1 (0.44) CCR2RARARARGALOX5TP53
SCHEMBL5508095 0.80 ALDH1A1 (0.40) RARARARGALOX5TP53MAPT
SCHEMBL5505713 0.79 ALDH1A1 (0.40) RARARARGALOX5TP53MAPT
SCHEMBL5504699 0.78 ALDH1A1 (0.44) RARARARGALOX5MAPTLMNA
SCHEMBL5510418 0.77 RARA (0.39) RARARARGALOX5TP53RARB
SCHEMBL2818307 0.77 CCR2 (0.45) CCR2RARARARGALOX5CSNK1A1

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 CCR2 895/4885RARA 4130/4885RARG 4168/4885

“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.