SCHEMBL5459213

SCHEMBL5459213

COC(=O)[CH]c1ccc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.49
MAPT P10636 1/20 0.49
NQO2 P16083 2/20 0.49
PTGS1 P23219 1/20 0.47
KDM4E B2RXH2 2/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL5673590 0.83 KDM4E (0.62) APPMAPTNQO2KDM4EKMT2A
SCHEMBL5673587 0.83 KDM4E (0.62) APPMAPTNQO2KDM4EKMT2A
SCHEMBL5593815 0.78 KDM4E (0.61) APPMAPTKDM4EKMT2ASMN1; SMN2
SCHEMBL14619003 0.78 KDM4E (0.61) APPMAPTKDM4EKMT2ASMN1; SMN2
SCHEMBL1033828 0.77 GRIN2D (0.53) NQO2PTGS1KDM4EKMT2ASMN1; SMN2
SCHEMBL11166775 0.77 APP (0.54) APPMAPTNQO2KDM4EKMT2A
SCHEMBL11185942 0.77 APP (0.54) APPMAPTNQO2KDM4EKMT2A
SCHEMBL294835 0.77 TSHR (0.46) MAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL22231419 0.76 PTGS2 (0.49) MAPT
Cyclopropane SCHEMBL11845176 0.76 CNR2 (0.59) APPMAPTNQO2KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070112016-A1 Novel 3-spirocyclic indolyl derivatives useful as ORL-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2007-05-17 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-20070112016-A1 Novel 3-spirocyclic indolyl derivatives useful as ORL-1 receptor modulators OXER1, OGFRL1, NR1H2 APP 3741/4885MAPT 2044/4885NQO2 2996/4885

“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.