SCHEMBL6090139

SCHEMBL6090139

Cc1cccc(C=CC(=O)C23CC4CC(CC(C4)C2)C3)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
GBA1 P04062 1/20 0.51
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 3/20 0.41
RAB9A P51151 2/20 0.41
TSHR P16473 2/20 0.41
GRM5 P41594 1/20 0.41
GRM4 Q14833 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL4728916 0.79 ALDH1A1 (0.59) NPC1MEN1KMT2AALDH1A1KDM4E
SCHEMBL4727011 0.77 LMNA (0.57) NPC1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5756784 0.73 KDM4E (0.58) NPC1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5756780 0.73 KDM4E (0.58) NPC1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL12040547 0.72 GABBR2 (0.53) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL6091145 0.72 GABBR2 (0.53) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL5756445 0.72 RAB9A (0.60) NPC1GBA1MEN1KMT2AALDH1A1
SCHEMBL8068014 0.70 JUN (0.51) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL6092331 0.70 JUN (0.51) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL3324587 0.69 LMNA (0.58) NPC1GBA1MEN1KMT2AALDH1A1

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 NPC1 245/4885GBA1 190/4885MEN1 774/4885

“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.