SCHEMBL3696377

SCHEMBL3696377

CCCOC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.67
SERPINE1 P05121 6/20 0.64
AKR1C4 P17516 1/20 0.63
AKR1C3 P42330 1/20 0.63
AKR1C2 P52895 1/20 0.63
AKR1C1 Q04828 1/20 0.63
POLB P06746 2/20 0.61
POLA1 P09884 1/20 0.61
ANTXR2 P58335 1/20 0.61
KDM4E B2RXH2 1/20 0.56
TYR P14679 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CHRM1 P11229 1/20 0.50
TSHR P16473 1/20 0.50
SLC6A2 P23975 1/20 0.50
KDR P35968 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TMPRSS2 O15393 1/20 0.49
USP2 O75604 1/20 0.49

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
SCHEMBL17220942 0.91 ESR1 (0.82) ESR1SERPINE1AKR1C4AKR1C3AKR1C2
Propyl Gallate SCHEMBL788397 0.90 ESR1 (0.80) ESR1SERPINE1AKR1C4AKR1C3AKR1C2
Propyl Gallate SCHEMBL22630 0.90 ESR1 (0.80) ESR1SERPINE1AKR1C4AKR1C3AKR1C2
SCHEMBL15453542 0.90 LMNA (0.65) ESR1SERPINE1AKR1C4AKR1C3AKR1C2
SCHEMBL17220946 0.90 ESR1 (0.81) ESR1SERPINE1AKR1C4AKR1C3AKR1C2
Propyl Gallate SCHEMBL8334443 0.89 ESR1 (0.77) ESR1SERPINE1AKR1C4AKR1C3AKR1C2
Propyl Gallate SCHEMBL28626398 0.89 ESR1 (0.77) ESR1SERPINE1AKR1C4AKR1C3AKR1C2
Propyl Gallate SCHEMBL29910229 0.89 ESR1 (0.77) ESR1SERPINE1AKR1C4AKR1C3AKR1C2
Propyl Gallate SCHEMBL16678445 0.89 ESR1 (0.77) ESR1SERPINE1AKR1C4AKR1C3AKR1C2
Propyl Gallate SCHEMBL9389174 0.89 ESR1 (0.77) ESR1SERPINE1AKR1C4AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150313925-A1 COMBINATION OF COMPOUNDS DERIVED FROM GALLIC ACID FOR THE TREATMENT OF CANCER PONTIFICIA UNIVERSIDAD JAVERIANA (CO) 2015-11-05 US claimed
WO-2013007607-A2 HAIR CARE COMPOSITION UNILEVER PLC (GB) 2013-01-17 WO claimed
WO-2013007606-A2 HAIR CARE COMPOSITION UNILEVER PLC (GB) 2013-01-17 WO claimed
CN-116606202-A Preparation method of gallic acid catalyzed by sulfinic acid or sulfonic acid derivative 云南中倍生物科技有限公司 2023-08-18 CN disclosed
US-9931355-B2 Combination of compounds derived from gallic acid for the treatment of cancer PONTIFICLA UNIVERSIDAD JAVERIANA (CO) 2018-04-03 US disclosed
US-20150313925-A1 COMBINATION OF COMPOUNDS DERIVED FROM GALLIC ACID FOR THE TREATMENT OF CANCER PONTIFICIA UNIVERSIDAD JAVERIANA (CO) 2015-11-05 US disclosed
US-7695981-B2 Seed layers, cap layers, and thin films and methods of making thereof SILURIA TECHNOLOGIES, INC. (US) 2010-04-13 US disclosed
US-7655081-B2 Containing aqueous cobalt, tungsten phosphide; reducing agents; metal chelators; for forming cap layer SILURIA TECHNOLOGIES, INC. (US) 2010-02-02 US disclosed
WO-2008013516-A2 SEED LAYERS, CAP LAYERS, AND THIN FILMS AND METHODS OF MAKING THEREOF CAMBRIOS TECHNOLOGIES CORP. (US) 2008-01-31 WO disclosed
US-20060254503-A1 Seed layers, cap layers, and thin films and methods of making thereof CAMBRIOS TECHNOLOGIES CORPORATION 2006-11-16 US disclosed
US-20060254504-A1 Plating bath and surface treatment compositions for thin film deposition CAMBRIOS TECHNOLOGIES CORPORATION 2006-11-16 US disclosed
US-4109051-A POLYHYDROXY AROMATIC COATING COMPOSITIONS FOR REINFORCING GLASS FIBERS USED IN CEMENTITIOUS PRODUCTS PILKINGTON BROTHERS LIMITED (GB) 1978-08-22 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-20150313925-A1 COMBINATION OF COMPOUNDS DERIVED FROM GALLIC ACID FOR THE TREATMENT OF CANCER BAD, BAX, BCL2 ESR1 2466/4885SERPINE1 1153/4885AKR1C4 2762/4885

“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.