SCHEMBL17280333

SCHEMBL17280333

CCOC(=O)CC(C(=O)OCC)P(C)(C)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
TSHR P16473 2/20 0.57
ALOX15 P16050 4/20 0.53
CYP3A4 P08684 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
HSD17B10 Q99714 2/20 0.44
CHRM1 P11229 1/20 0.44
ADORA1 P30542 1/20 0.44
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
TRPA1 O75762 1/20 0.40
POLB P06746 2/20 0.39
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL9651238 0.89 ALDH1A1 (0.50) ALDH1A1TSHRALOX15CYP3A4TDP1
SCHEMBL2991456 0.81 POLB (0.42) ALDH1A1TSHRALOX15CYP3A4TDP1
SCHEMBL11318600 0.81 ALDH1A1 (0.54) ALDH1A1TSHRALOX15CYP3A4TDP1
SCHEMBL9461450 0.81 ALDH1A1 (0.54) ALDH1A1TSHRALOX15CYP3A4TDP1
SCHEMBL8232913 0.80 ALDH1A1 (0.50) ALDH1A1TSHRALOX15CYP3A4TDP1
SCHEMBL11690303 0.79 ALDH1A1 (0.53) ALDH1A1TSHRALOX15CYP3A4TDP1
SCHEMBL9359820 0.78 ALDH1A1 (0.51) ALDH1A1TSHRALOX15CYP3A4TDP1
SCHEMBL2982663 0.78 ALDH1A1 (0.46) ALDH1A1TSHRALOX15CYP3A4TDP1
SCHEMBL15303579 0.77 TSHR (0.36) ALDH1A1TSHRALOX15CYP3A4TDP1
SCHEMBL2545053 0.75 ALDH1A1 (0.47) ALDH1A1TSHRALOX15CYP3A4TDP1

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-9650355-B2 Method for preparation of justicidin a derivatives of arylnaphthalene lignan structure KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2017-05-16 US disclosed
US-20150336938-A1 METHOD FOR PREPARATION OF JUSTICIDIN A DERIVATIVES OF ARYLNAPHTHALENE LIGNAN STRUCTURE KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-11-26 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-20150336938-A1 METHOD FOR PREPARATION OF JUSTICIDIN A DERIVATIVES OF ARYLNAPHTHALENE LIGNAN STRUCTURE UGT1A8, NOTUM, MLN ALDH1A1 241/4885TSHR 4743/4885ALOX15 397/4885

“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.