SCHEMBL18037460

SCHEMBL18037460

COc1ccc2c(C(=O)O)c3n(c(=O)c2c1OC)CCc1cc2c(cc1-3)OCO2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.62
CYP2D6 P10635 4/20 0.47
KMT2A Q03164 3/20 0.47
ACHE P22303 3/20 0.45
EDNRB P24530 1/20 0.44
P2RX7 Q99572 2/20 0.41
CYP3A4 P08684 6/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
TSHR P16473 3/20 0.41
EP300 Q09472 3/20 0.41
LMNA P02545 2/20 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
SCHEMBL18037452 0.92 BCHE (0.61) BCHECYP2D6KMT2AACHEP2RX7
SCHEMBL18037465 0.89 BCHE (0.57) BCHECYP2D6KMT2AACHEEDNRB
SCHEMBL18037466 0.88 BCHE (0.48) BCHECYP2D6KMT2AACHEEDNRB
SCHEMBL31472747 0.88 BCHE (0.65) BCHECYP2D6KMT2AACHEP2RX7
SCHEMBL31472746 0.88 BCHE (0.65) BCHECYP2D6KMT2AACHEP2RX7
SCHEMBL31472748 0.88 BCHE (0.65) BCHECYP2D6KMT2AACHEP2RX7
SCHEMBL297348 0.87 BCHE (0.66) BCHECYP2D6KMT2AACHEP2RX7
SCHEMBL16884590 0.86 BCHE (0.54) BCHECYP2D6KMT2AACHEEDNRB
SCHEMBL299042 0.84 BCHE (0.63) BCHECYP2D6KMT2AACHEP2RX7
SCHEMBL18037456 0.84 BCHE (0.52) BCHECYP2D6KMT2AACHEEDNRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650389-B2 8-oxoprotoberberine derivative or pharmaceutically acceptable salt thereof, preparation method therefor and pharmaceutical composition for preventing or treating diseases associated with activity of NFAT5, containing same as active ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2017-05-16 US claimed
US-20160251368-A1 Novel 8-Oxoprotoberberine Derivative or Pharmaceutically Acceptable Salt Thereof, Preparation Method Therefor and Pharmaceutical Composition for Preventing or Treating Diseases Associated with Activity of NFAT5, Containing Same as Active Ingredient THE CATHOLIC UNIVERSITY OF KOREA INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2016-09-01 US claimed
US-9650389-B2 8-oxoprotoberberine derivative or pharmaceutically acceptable salt thereof, preparation method therefor and pharmaceutical composition for preventing or treating diseases associated with activity of NFAT5, containing same as active ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2017-05-16 US disclosed
US-9650389-B2 8-oxoprotoberberine derivative or pharmaceutically acceptable salt thereof, preparation method therefor and pharmaceutical composition for preventing or treating diseases associated with activity of NFAT5, containing same as active ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2017-05-16 US disclosed
US-9650389-B2 8-oxoprotoberberine derivative or pharmaceutically acceptable salt thereof, preparation method therefor and pharmaceutical composition for preventing or treating diseases associated with activity of NFAT5, containing same as active ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2017-05-16 US disclosed
US-20160251368-A1 Novel 8-Oxoprotoberberine Derivative or Pharmaceutically Acceptable Salt Thereof, Preparation Method Therefor and Pharmaceutical Composition for Preventing or Treating Diseases Associated with Activity of NFAT5, Containing Same as Active Ingredient THE CATHOLIC UNIVERSITY OF KOREA INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2016-09-01 US disclosed
US-20160251368-A1 Novel 8-Oxoprotoberberine Derivative or Pharmaceutically Acceptable Salt Thereof, Preparation Method Therefor and Pharmaceutical Composition for Preventing or Treating Diseases Associated with Activity of NFAT5, Containing Same as Active Ingredient THE CATHOLIC UNIVERSITY OF KOREA INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2016-09-01 US disclosed
US-20160251368-A1 Novel 8-Oxoprotoberberine Derivative or Pharmaceutically Acceptable Salt Thereof, Preparation Method Therefor and Pharmaceutical Composition for Preventing or Treating Diseases Associated with Activity of NFAT5, Containing Same as Active Ingredient THE CATHOLIC UNIVERSITY OF KOREA INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2016-09-01 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-20160251368-A1 Novel 8-Oxoprotoberberine Derivative or Pharmaceutically Acceptable Salt Thereof, Preparation Method Therefor and Pharmaceutical Composition for Preventing or Treating Diseases Associated with Activity of NFAT5, Containing Same as Active Ingredient NFATC1, NFKB1, IL5 BCHE 3466/4885CYP2D6 3964/4885KMT2A 1920/4885

“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.