SCHEMBL12002308

SCHEMBL12002308

CCn1c(=O)cc(OC)c2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.66
MAPT P10636 2/20 0.66
PKM P14618 1/20 0.66
KDM4E B2RXH2 1/20 0.62
HPGD P15428 3/20 0.57
LMNA P02545 2/20 0.57
RXFP1 Q9HBX9 1/20 0.57
HTT P42858 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
POLB P06746 1/20 0.55
TSHR P16473 1/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL2795612 0.83 ALDH1A1 (0.48) ALDH1A1MAPTPKMKDM4EHPGD
SCHEMBL2797897 0.83 ALDH1A1 (0.51) ALDH1A1MAPTPKMKDM4EHPGD
SCHEMBL5040366 0.82 KDM4E (0.68) ALDH1A1MAPTPKMKDM4ERXFP1
SCHEMBL11999961 0.81 KDM4E (0.74) ALDH1A1MAPTPKMKDM4EHPGD
SCHEMBL11389203 0.80 ALDH1A1 (0.64) ALDH1A1MAPTPKMKDM4EHPGD
SCHEMBL17066941 0.78 MEN1 (0.69) ALDH1A1MAPTPKMKDM4EHPGD
SCHEMBL30783436 0.78 KCNA3 (0.61) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL30367071 0.78 MEN1 (0.69) ALDH1A1MAPTPKMKDM4EHPGD
SCHEMBL11379787 0.78 KCNA3 (0.61) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL9535544 0.77 KDM4E (1.00) ALDH1A1MAPTPKMKDM4EHPGD

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-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-23 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-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 ALDH1A1 3142/4885MAPT 3361/4885PKM 3703/4885

“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.