SCHEMBL16625814

SCHEMBL16625814

O=[N+]([O-])c1cc2c(cc1O)C[C@H]1c3ccc(CO)cc3CCN1C2c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
CA1 P00915 5/20 0.36
CA2 P00918 5/20 0.36
CA9 Q16790 5/20 0.36
CA14 Q9ULX7 5/20 0.36
CA12 O43570 4/20 0.36
CA7 P43166 4/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
TBXA2R P21731 1/20 0.36
DRD2 P14416 3/20 0.35
DRD1 P21728 3/20 0.35

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
SCHEMBL16625839 0.88 DRD1 (0.43) MAPTMAPK1CA1CA2CA9
SCHEMBL16625821 0.88 DRD1 (0.43) MAPTMAPK1CA1CA2CA9
SCHEMBL16627007 0.85 CA1 (0.52) CA1CA2CA9CA14CA12
SCHEMBL16625836 0.84 DRD1 (0.46) MAPK1CA1CA2CA9CA14
SCHEMBL16625834 0.84 DRD1 (0.51) ESR1ESR2DRD2DRD1
SCHEMBL16625810 0.81 ALDH1A1 (0.47) ALDH1A1MAPTCA1CA2CA9
SCHEMBL17342925 0.80 CA1 (0.51) ALDH1A1MAPTMAPK1CA1CA2
SCHEMBL16625802 0.71 USP2 (0.47) ALDH1A1DRD2DRD1
SCHEMBL16625813 0.71 USP2 (0.47) ALDH1A1DRD2DRD1
SCHEMBL16627015 0.71 CA1 (0.54) MAPK1CA1CA2CA9CA14

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-9181237-B2 Substituted berbines and their synthesis MALLINCKRODT LLC (US) 2015-11-10 US disclosed
US-20150099772-A1 SUBSTITUTED BERBINES AND THEIR SYNTHESIS SUCAMPO PHARMA AMERICAS LLC 2015-04-09 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-20150099772-A1 SUBSTITUTED BERBINES AND THEIR SYNTHESIS TYMS, NME2, TYMP ALDH1A1 1744/4885MAPT 3210/4885MAPK1 2586/4885

“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.