SCHEMBL13100737

SCHEMBL13100737

CCCCOc1cc(O)c2c(c1)O[C@@H](c1ccccc1)CC2=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.72
ACHE P22303 6/20 0.66
CYP19A1 P11511 2/20 0.65
MAPT P10636 2/20 0.65
CYP1A1 P04798 2/20 0.65
CYP1A2 P05177 2/20 0.65
CYP1B1 Q16678 2/20 0.65
MEN1 O00255 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
KMT2A Q03164 1/20 0.65
HSD17B10 Q99714 1/20 0.65
BCHE P06276 5/20 0.65
ALDH1A1 P00352 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
ATM Q13315 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
TAS2R31 P59538 1/20 0.60

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
SCHEMBL13100739 1.00 ABCG2 (0.72) ABCG2ACHECYP19A1MAPTCYP1A1
SCHEMBL13100738 1.00 ABCG2 (0.72) ABCG2ACHECYP19A1MAPTCYP1A1
SCHEMBL23356493 0.90 CYP1A1 (0.74) ABCG2ACHECYP19A1MAPTCYP1A1
SCHEMBL12978383 0.89 ABCG2 (0.68) ABCG2ACHECYP19A1MAPTCYP1A1
SCHEMBL7663826 0.88 ACHE (0.70) ACHECYP19A1MAPTCYP1A1CYP1A2
SCHEMBL7671518 0.88 ACHE (0.70) ACHECYP19A1MAPTCYP1A1CYP1A2
SCHEMBL25134990 0.87 ACHE (0.58) ABCG2ACHECYP19A1MAPTCYP1A1
SCHEMBL13091033 0.85 ABCG2 (0.73) ABCG2ACHECYP19A1MAPTCYP1A1
SCHEMBL13091031 0.85 ABCG2 (0.73) ABCG2ACHECYP19A1MAPTCYP1A1
SCHEMBL13091029 0.85 ABCG2 (0.73) ABCG2ACHECYP19A1MAPTCYP1A1

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-8399691-B2 Method for resolution of a mixture of pinocembrin optical isomers, especially a pinocembrin racemate CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO. LTD. (CN) 2013-03-19 US disclosed
US-20100261916-A1 METHOD FOR RESOLUTION OF A MIXTURE OF PINOCEMBRIN OPTICAL ISOMERS, ESPECIALLY A PINOCEMBRIN RACEMATE CSPC Zhonggi Pharmaceutical Technology (Shijiazhuang) Co. Ltd. (CN) 2010-10-14 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-20100261916-A1 METHOD FOR RESOLUTION OF A MIXTURE OF PINOCEMBRIN OPTICAL ISOMERS, ESPECIALLY A PINOCEMBRIN RACEMATE SPR, NISCH, PNN ABCG2 334/4885ACHE 2771/4885CYP19A1 2302/4885

“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.