SCHEMBL19680127

SCHEMBL19680127

CCCCCc1cc(O)c(Br)c(O)c1C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
CNR1 P21554 4/20 0.45
CNR2 P34972 4/20 0.45
KDM4E B2RXH2 2/20 0.45
NOD2 Q9HC29 1/20 0.45
PTGES O14684 2/20 0.43
TOP2A P11388 1/20 0.43
PTPN1 P18031 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
MAPT P10636 3/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP3A4 P08684 2/20 0.42

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
SCHEMBL19677652 0.90 NR1H2 (0.49) NR1H2NR1H3KDM4EPTPN1CA12
SCHEMBL11316813 0.84 PTGES (0.55) NR1H2NR1H3KDM4ENOD2PTGES
SCHEMBL5676264 0.81 NR1H2 (0.47) NR1H2NR1H3KDM4ENOD2PTGES
SCHEMBL19680128 0.81 NR1H2 (0.51) NR1H2NR1H3KDM4ENOD2PTGES
SCHEMBL9396779 0.80 PTPN1 (0.53) NR1H2NR1H3KDM4ENOD2PTGES
SCHEMBL8750720 0.79 PTGES (0.66) NR1H2NR1H3KDM4ENOD2PTGES
SCHEMBL29979434 0.79 PTGES (0.66) NR1H2NR1H3KDM4ENOD2PTGES
SCHEMBL31643701 0.78 CYP3A4 (0.63) NR1H2NR1H3KDM4ECA12CA1
SCHEMBL8400549 0.78 PTPN1 (0.66) NR1H2NR1H3KDM4ENOD2PTGES
SCHEMBL8402307 0.78 PTPN1 (0.66) NR1H2NR1H3KDM4ENOD2PTGES

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 36/4885CNR1 1/4885

“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.