SCHEMBL19680128

SCHEMBL19680128

CCCCCc1c(Br)c(O)cc(O)c1C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.51
NR1H3 Q13133 1/20 0.51
CYP3A4 P08684 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
MAPT P10636 2/20 0.45
PKM P14618 1/20 0.45
KDM4E B2RXH2 2/20 0.44
HPGD P15428 1/20 0.44
HSP90AA1 P07900 1/20 0.42
HSP90B1 P14625 1/20 0.42
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL19677653 0.91 NR1H2 (0.54) NR1H2NR1H3CYP3A4TDP1SMN1; SMN2
SCHEMBL28646839 0.90 NR1H2 (0.59) NR1H2NR1H3CYP3A4TDP1SMN1; SMN2
SCHEMBL19680127 0.81 NR1H2 (0.45) NR1H2NR1H3CYP3A4TDP1SMN1; SMN2
SCHEMBL19666780 0.79 MAPT (0.40) NR1H2NR1H3CYP3A4TDP1SMN1; SMN2
SCHEMBL18371600 0.79 CYP19A1 (0.51) CYP3A4TDP1MAPTPKMKDM4E
SCHEMBL28548859 0.79 SMN1; SMN2 (0.40) NR1H2NR1H3SMN1; SMN2CA12CA1
SCHEMBL8400705 0.78 ALDH1A1 (0.40) NR1H2NR1H3SMN1; SMN2CA12CA1
SCHEMBL8402794 0.78 ALDH1A1 (0.40) NR1H2NR1H3SMN1; SMN2CA12CA1
SCHEMBL9396779 0.77 PTPN1 (0.53) NR1H2NR1H3CYP3A4TDP1SMN1; SMN2
SCHEMBL28648622 0.77 CYP3A4 (0.49) CYP3A4HPGDHSP90AA1HSP90B1FFAR1

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-20170349518-A1 Crystalline Form of Cannabidiol S&B PHARMA, INC., DBA NORAC PHARMA 2017-12-07 US disclosed
US-20170349518-A1 Crystalline Form of Cannabidiol S&B PHARMA, INC., DBA NORAC PHARMA 2017-12-07 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-20170349518-A1 Crystalline Form of Cannabidiol CNR1, CNR2, CALCOCO2 NR1H2 35/4885NR1H3 36/4885CYP3A4 2831/4885

“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.