SCHEMBL19666785

SCHEMBL19666785

CCCc1c(Br)c(O)c(Br)c(O)c1C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MAPT P10636 5/20 0.42
ALOX15 P16050 2/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 1/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
PKM P14618 2/20 0.40
GAA P10253 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
CYP3A4 P08684 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL19666780 0.91 MAPT (0.40) CA12CA1CA2CA7CA9
SCHEMBL8402794 0.89 ALDH1A1 (0.40) CA12CA1CA2CA7CA9
SCHEMBL8400705 0.89 ALDH1A1 (0.40) CA12CA1CA2CA7CA9
SCHEMBL4383570 0.80 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL29225453 0.78 ALOX5 (0.37) HSD17B10GAAALDH1A1HPGDMEN1
SCHEMBL19677653 0.78 NR1H2 (0.54) CA12CA1CA2CA7CA9
SCHEMBL9396779 0.77 PTPN1 (0.53) NR1H2NR1H3SMN1; SMN2CYP3A4TDP1
SCHEMBL19677652 0.74 NR1H2 (0.49) CA12CA1CA2CA7CA9
SCHEMBL5590666 0.72 LDHA (0.36) CA1CA2MAPTALOX15TSHR
SCHEMBL31741854 0.71 CYP1A2 (0.54) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10053407-B2 Crystalline cannabidivarin S&B Pharma, Inc. (US) 2018-08-21 US disclosed
US-20170349517-A1 Crystalline Cannabidivarin S&B PHARMA, INC., DBA NORAC PHARMA 2017-12-07 US disclosed
US-20170349517-A1 Crystalline Cannabidivarin S&B PHARMA, INC., DBA NORAC PHARMA 2017-12-07 US disclosed
US-20170349517-A1 Crystalline Cannabidivarin 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 (2 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-20170349517-A1 Crystalline Cannabidivarin CNR2, CNR1, NCSTN CA12 621/4885CA1 1421/4885CA2 2266/4885
US-10053407-B2 Crystalline cannabidivarin CNR2, CNR1, NCSTN CA12 621/4885CA1 1421/4885CA2 2266/4885

“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.