SCHEMBL6092329

SCHEMBL6092329

O=C(C=CC12CC3CC(CC(C3)C1)C2)c1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
HTT P42858 2/20 0.45
CYP19A1 P11511 5/20 0.44
CYP17A1 P05093 5/20 0.44
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
EPHX2 P34913 2/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PFKFB3 Q16875 1/20 0.41
P2RX7 Q99572 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
EPHX1 P07099 1/20 0.40

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
SCHEMBL6091141 0.84 FAAH (0.49) KMT2AMEN1HTTALDH1A1SMN1; SMN2
SCHEMBL1769995 0.82 TSHR (0.56) KMT2AMEN1CYP19A1CYP17A1ALDH1A1
SCHEMBL4728169 0.82 TSHR (0.56) KMT2AMEN1CYP19A1CYP17A1ALDH1A1
SCHEMBL18317449 0.81 RAB9A (0.45) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL6090897 0.81 P2RX7 (0.46) HTTALDH1A1EPHX2KDM4ELMNA
SCHEMBL6092092 0.81 TNFRSF1A (0.47) HTTALDH1A1L3MBTL1SMN1; SMN2P2RX7
SCHEMBL6093069 0.78 ALDH1A1 (0.43) KMT2AMEN1HTTALDH1A1L3MBTL1
SCHEMBL6093635 0.78 CNR2 (0.55) KMT2AMEN1ALDH1A1EPHX2LMNA
SCHEMBL6090662 0.78 MAPT (0.48) KMT2AMEN1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL6093038 0.78 HDAC1 (0.41) KMT2AMEN1HTTALDH1A1L3MBTL1

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 KMT2A 2600/4885MEN1 774/4885HTT 244/4885

“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.