SCHEMBL6090902

SCHEMBL6090902

O=C(C=Cc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 3/20 0.45
GAA P10253 2/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
MAOB P27338 3/20 0.44
HDAC2 Q92769 2/20 0.44
HPGD P15428 1/20 0.43
CXCL12 P48061 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
P2RX7 Q99572 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAOA P21397 1/20 0.42

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
SCHEMBL18317450 0.84 ALDH1A1 (0.45) CYP1A2ALDH1A1GAALMNAMAPT
SCHEMBL8876584 0.84 HSD11B1 (0.51) ALDH1A1GAALMNAMAPTHTT
SCHEMBL18325433 0.84 ALDH1A1 (0.45) CYP1A2ALDH1A1GAALMNAMAPT
SCHEMBL6092094 0.84 HSD11B1 (0.51) ALDH1A1GAALMNAMAPTHTT
SCHEMBL6091145 0.84 GABBR2 (0.53) CYP1A2ALDH1A1GAALMNAMAPT
SCHEMBL12040547 0.84 GABBR2 (0.53) CYP1A2ALDH1A1GAALMNAMAPT
SCHEMBL1548764 0.84 SPHK2 (0.51) CYP1A2ALDH1A1LMNAMAPTHTT
SCHEMBL6093043 0.84 KDM4E (0.54) MAPK1ALDH1A1GAALMNAMAPT
SCHEMBL6090681 0.82 RARB (0.51) ALDH1A1GAALMNAMAPTHTT
SCHEMBL8068014 0.81 JUN (0.51) ALDH1A1GAALMNAMAPTHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060074083-A1 Cyclic and acyclic propenones for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-06 US claimed
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 CYP1A2 317/4885MAPK1 2682/4885ALDH1A1 934/4885

“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.