SCHEMBL19677652

SCHEMBL19677652

CCCc1cc(O)c(Br)c(O)c1C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.49
NR1H3 Q13133 1/20 0.49
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 3/20 0.46
CYP3A4 P08684 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 4/20 0.45
ALOX15 P16050 2/20 0.45
TSHR P16473 2/20 0.45
HSD17B10 Q99714 2/20 0.45
USP2 O75604 1/20 0.43
PKM P14618 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 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
SCHEMBL19680127 0.90 NR1H2 (0.45) NR1H2NR1H3CA12CA1CA2
SCHEMBL31643701 0.81 CYP3A4 (0.63) NR1H2NR1H3CA12CA1CA2
SCHEMBL19677653 0.78 NR1H2 (0.54) NR1H2NR1H3CA12CA1CA2
SCHEMBL19409973 0.77 NR1H2 (0.72) NR1H2NR1H3CA12CA1CA2
SCHEMBL27853304 0.77 CA12 (0.54) NR1H2NR1H3CA12CA1CA2
SCHEMBL19666785 0.74 CA12 (0.42) NR1H2NR1H3CA12CA1CA2
SCHEMBL11316813 0.73 PTGES (0.55) NR1H2NR1H3CYP3A4TDP1SMN1; SMN2
SCHEMBL19680128 0.72 NR1H2 (0.51) NR1H2NR1H3CA12CA1CA2
SCHEMBL9579726 0.71 CA12 (0.59) NR1H2NR1H3CA12CA1CA2
SCHEMBL6864419 0.71 CA12 (0.63) NR1H2NR1H3CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102351706-B Method for synthesizing ethyldivaricatinate and application of ethyldivaricatinate JIANGSU CHINA TOBACCO IND CO LTD 2013-08-07 CN claimed
CN-102351706-A Method for synthesizing ethyldivaricatinate and application of ethyldivaricatinate JIANGSU CHINA TOBACCO IND CO LTD 2012-02-15 CN claimed
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
CN-102351706-B Method for synthesizing ethyldivaricatinate and application of ethyldivaricatinate JIANGSU CHINA TOBACCO IND CO LTD 2013-08-07 CN disclosed
CN-102351706-A Method for synthesizing ethyldivaricatinate and application of ethyldivaricatinate JIANGSU CHINA TOBACCO IND CO LTD 2012-02-15 CN 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-20170349517-A1 Crystalline Cannabidivarin CNR2, CNR1, NCSTN NR1H2 59/4885NR1H3 43/4885CA12 621/4885

“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.