SCHEMBL13229010

SCHEMBL13229010

COc1ccc(C(=O)c2ccccc2C(=O)OC(C)C)c(O)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.69
CYP3A4 P08684 4/20 0.69
HPGD P15428 3/20 0.69
CYP2C19 P33261 3/20 0.69
CYP1A2 P05177 2/20 0.69
PGR P06401 2/20 0.69
SLC6A2 P23975 2/20 0.69
ADORA3 P0DMS8 1/20 0.69
AR P10275 1/20 0.69
CHRM1 P11229 1/20 0.69
ALOX15 P16050 1/20 0.69
TBXA2R P21731 1/20 0.69
ADRA1A P35348 1/20 0.69
HIF1A Q16665 1/20 0.69
NPC1 O15118 3/20 0.65
RAB9A P51151 3/20 0.65
MAPK1 P28482 3/20 0.59
ALDH1A1 P00352 2/20 0.59
CYP2D6 P10635 1/20 0.59
PDE4A P27815 1/20 0.59

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
SCHEMBL16687953 0.87 CA12 (0.73) LMNACYP3A4HPGDCYP2C19CYP1A2
SCHEMBL14292891 0.86 LMNA (0.77) LMNACYP3A4HPGDCYP2C19CYP1A2
SCHEMBL17212249 0.84 LMNA (0.79) LMNACYP3A4HPGDCYP2C19CYP1A2
SCHEMBL16687594 0.83 CA12 (0.55) LMNACYP3A4HPGDCYP2C19CYP1A2
Dioxybenzone SCHEMBL29365575 0.82 LMNA (1.00) LMNACYP3A4HPGDCYP2C19CYP1A2
Dioxybenzone SCHEMBL29364693 0.82 LMNA (1.00) LMNACYP3A4HPGDCYP2C19CYP1A2
Dioxybenzone SCHEMBL29354139 0.82 LMNA (1.00) LMNACYP3A4HPGDCYP2C19CYP1A2
Dioxybenzone SCHEMBL15894 0.82 LMNA (1.00) LMNACYP3A4HPGDCYP2C19CYP1A2
Dioxybenzone SCHEMBL6674075 0.82 LMNA (1.00) LMNACYP3A4HPGDCYP2C19CYP1A2
Dioxybenzone SCHEMBL7936480 0.82 LMNA (1.00) LMNACYP3A4HPGDCYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023889-B2 Use of ascorbic acid derivatives for the functionalization of matrices MERCK PATENT GMBH (DE) 2015-05-05 US disclosed
US-20100167936-A1 USE OF ASCORBIC ACID DERIVATIVES FOR THE FUNCTIONALIZATION OF MATRICES MERCK PATENT GESELLSCHAFT (DE) 2010-07-01 US disclosed
US-20100167936-A1 USE OF ASCORBIC ACID DERIVATIVES FOR THE FUNCTIONALIZATION OF MATRICES MERCK PATENT GESELLSCHAFT (DE) 2010-07-01 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-20100167936-A1 USE OF ASCORBIC ACID DERIVATIVES FOR THE FUNCTIONALIZATION OF MATRICES PROC, TTPA, COX6C LMNA 973/4885CYP3A4 275/4885HPGD 352/4885

“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.