SCHEMBL6843535

SCHEMBL6843535

CNC1c2ccc(OC)c(OC)c2CCC1C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.43
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
CCR2 P41597 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
MTNR1A P48039 8/20 0.37
MTNR1B P49286 8/20 0.37
NQO2 P16083 1/20 0.36
ACHE P22303 1/20 0.36
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL27547318 0.84 PARP1 (0.43) PARP1TDP1KDM4EALDH1A1HPGD
SCHEMBL50426 0.75 KDM4E (0.49) PARP1TDP1KDM4EALDH1A1HPGD
SCHEMBL10205808 0.73 PARP1 (0.47) PARP1TDP1KDM4EALDH1A1HPGD
SCHEMBL559163 0.73 PARP1 (0.47) PARP1TDP1KDM4EALDH1A1HPGD
SCHEMBL8502533 0.73 LMNA (0.57) TDP1KDM4EMTNR1AMTNR1BLMNA
SCHEMBL8501371 0.73 LMNA (0.57) TDP1KDM4EMTNR1AMTNR1BLMNA
SCHEMBL2465015 0.73 LMNA (0.57) TDP1KDM4EMTNR1AMTNR1BLMNA
SCHEMBL559102 0.72 PARP1 (0.46) PARP1TDP1KDM4EALDH1A1HPGD
SCHEMBL13616708 0.72 POLL (0.49) PARP1KDM4EALDH1A1HPGDDRD2
Acetic Acid SCHEMBL355654 0.71 ACHE (0.47) PARP1TDP1KDM4EALDH1A1HPGD

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-20040102652-A1 Optically active2-aminotetralin derivatives, the processes for the preparation thereof and the therapeutical use of pharmaceutical compositions containing them CHIESI FARMACEUTICI S.P.A. (IT) 2004-05-27 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-20040102652-A1 Optically active2-aminotetralin derivatives, the processes for the preparation thereof and the therapeutical use of pharmaceutical compositions containing them AADAT, AASDHPPT, AAAS PARP1 1989/4885TDP1 1780/4885KDM4E 1637/4885

“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.