SCHEMBL6090681

SCHEMBL6090681

O=C(C=Cc1ccc(-c2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.51
HDAC2 Q92769 3/20 0.50
HDAC11 Q96DB2 3/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
GABBR2 O75899 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRB2 P47870 1/20 0.46
GABBR1 Q9UBS5 1/20 0.46
MGLL Q99685 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.43

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
SCHEMBL12040547 0.91 GABBR2 (0.53) HDAC2HDAC11HDAC3HDAC4HDAC7
SCHEMBL6091145 0.91 GABBR2 (0.53) HDAC2HDAC11HDAC3HDAC4HDAC7
SCHEMBL6090902 0.82 CYP1A2 (0.51) HDAC2HDAC3HDAC6MEN1KMT2A
SCHEMBL18317450 0.82 ALDH1A1 (0.45) RARBHDAC2HDAC11HDAC3HDAC4
SCHEMBL18325433 0.82 ALDH1A1 (0.45) RARBHDAC2HDAC11HDAC3HDAC4
SCHEMBL8876584 0.82 HSD11B1 (0.51) RARBHDAC2HDAC3HDAC8HDAC6
SCHEMBL6092094 0.82 HSD11B1 (0.51) RARBHDAC2HDAC3HDAC8HDAC6
SCHEMBL16053009 0.81 GABBR2 (0.50) HDAC2HDAC11HDAC3HDAC4HDAC7
SCHEMBL16053010 0.81 GABBR2 (0.50) HDAC2HDAC11HDAC3HDAC4HDAC7
SCHEMBL6091480 0.79 GSK3B (0.61) MEN1KMT2AMAPTSMN1; SMN2

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 RARB 3881/4885HDAC2 608/4885HDAC11 1575/4885

“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.