SCHEMBL16625839

SCHEMBL16625839

OCc1ccc2c(c1)CCN1[C@H](c3ccccc3)c3cc(O)c(O)cc3C[C@@H]21

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 6/20 0.43
DRD2 P14416 4/20 0.43
MAPK1 P28482 1/20 0.42
THPO P40225 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MTOR P42345 1/20 0.42
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DRD3 P35462 1/20 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
SCHEMBL16625821 1.00 DRD1 (0.43) DRD1DRD2MAPK1THPOHIF1A
SCHEMBL16625836 0.92 DRD1 (0.46) DRD1DRD2MAPK1THPOHIF1A
SCHEMBL16625834 0.92 DRD1 (0.51) DRD1DRD2THPOHSD17B10
SCHEMBL16625810 0.89 ALDH1A1 (0.47) DRD1DRD2CA1CA2CA9
SCHEMBL16625801 0.89 ALDH1A1 (0.47) DRD1DRD2CA1CA2CA9
SCHEMBL16625814 0.88 ALDH1A1 (0.39) DRD1DRD2MAPK1CA12CA1
SCHEMBL16627013 0.82 CA1 (0.54) DRD1DRD2MAPK1THPOHIF1A
SCHEMBL16627015 0.82 CA1 (0.54) DRD1DRD2MAPK1THPOHIF1A
SCHEMBL16625830 0.79 KCNH2 (0.48) DRD1DRD2HIF1AHSD17B10KDM4E
SCHEMBL16625802 0.78 USP2 (0.47) DRD1DRD2DRD3

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 DRD1 2936/4885DRD2 2522/4885MAPK1 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.