SCHEMBL5653559

SCHEMBL5653559

CC(C)CCCCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.70
AKR1C4 P17516 1/20 0.70
AKR1C3 P42330 1/20 0.70
AKR1C2 P52895 1/20 0.70
AKR1C1 Q04828 1/20 0.70
SERPINE1 P05121 5/20 0.68
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.55
PKM P14618 1/20 0.55
KMT2A Q03164 1/20 0.55
TYR P14679 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
SCHEMBL28022507 1.00 ESR1 (0.70) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL15650775 1.00 ESR1 (0.70) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL15650867 1.00 ESR1 (0.70) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL29374035 1.00 ESR1 (0.70) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL2764415 1.00 ESR1 (0.70) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL15650486 1.00 ESR1 (0.70) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL1883477 1.00 ESR1 (0.70) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL15650438 1.00 ESR1 (0.70) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL15648827 1.00 ESR1 (0.70) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL15650000 0.98 SERPINE1 (0.70) ESR1AKR1C4AKR1C3AKR1C2AKR1C1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1282730-A Compounds with particular structure and anticancer activity and its preparing process YANG ZHENHUA (CN) 2001-02-07 CN claimed
US-20250275997-A1 Compositions Comprising S-Adenosylmethionine and a Gallic Acid Ester BONAFIDE HEALTH, LLC 2025-09-04 US disclosed
US-12303524-B2 Compositions comprising S-adenosylmethionine and a gallic acid ester MSI-195 HOLDINGS, LLC (US) 2025-05-20 US disclosed
US-20220193107-A1 COMPOSITIONS COMPRISING S-ADENOSYLMETHIONINE AND A GALLIC ACID ESTER BONAFIDE HEALTH, LLC 2022-06-23 US disclosed
US-20220031729-A1 USE OF S-ADENOSYLMETHIONINE FOR PERSONALIZED TREATMENT OF DEPRESSION Zentar LLC (US) 2022-02-03 US disclosed
US-20200129537-A1 COMPOSITIONS COMPRISING S-ADENOSYLMETHIONINE AND A GALLIC ACID ESTER MSI-195 HOLDINGS, LLC 2020-04-30 US disclosed
US-20190022119-A1 Compositions comprising S-Adenosylmethionine and a gallic acid ester MSI-195 HOLDINGS, LLC 2019-01-24 US disclosed
US-9925208-B2 Compositions comprising S-adenosylmethionine and a gallic acid ester METHYLATION SCIENCES INTERNATIONAL SRL (BB) 2018-03-27 US disclosed
US-9801896-B2 Compositions comprising S-adenosylmethionine and a gallic acid ester METHYLATION SCIENCES INTERNATIONAL SRL (BB) 2017-10-31 US disclosed
EP-3131557-A2 NOVEL ADEMETIONINE FORMULATIONS Methylation Sciences International SRL (BB) 2017-02-22 EP disclosed
US-8975238-B2 Compositions comprising S-adenosylmethionine and a gallic acid ester METHYLATION SCIENCES INTERNATIONAL SRL (BB) 2015-03-10 US disclosed
US-20140220129-A1 Compositions Comprising S-Adenosylmethionine and a Gallic Acid Ester METHYLATION SCIENCES INTERNATIONAL SRL (BB) 2014-08-07 US disclosed
WO-2014059522-A1 COMPOSITIONS COMPRISING S-ADENOSYLMETHIONINE AND A GALLIC ACID ESTER METHYLATION SCIENCES INTERNATIONAL SRL (BB) 2014-04-24 WO disclosed
US-7109364-B2 Group of anti-cancer compounds with specific structure and their production method YANG ZHENHUA 2006-09-19 US disclosed
EP-1259470-A4 A GROUP OF ANTI-CANCER COMPOUNDS WITH SPECIFIC STRUCTURE AND THEIR PRODUCTION METHOD YANG ZHENHUA (US) 2005-06-15 EP disclosed
CN-1193002-C Compounds with particular structure and anticancer activity and its preparing process YANG ZHENHUA (CN) 2005-03-16 CN disclosed
US-20040034242-A1 Group of anti-cancer compounds with specific structure and their production method YANG ZHENHUA (US) 2004-02-19 US disclosed
EP-1259470-A2 A GROUP OF ANTI-CANCER COMPOUNDS WITH SPECIFIC STRUCTURE AND THEIR PRODUCTION METHOD Yang, Zhenhua (US) 2002-11-27 EP disclosed
WO-2001059067-A2 A GROUP OF ANTI-CANCER COMPOUNDS WITH SPECIFIC STRUCTURE AND THEIR PRODUCTION METHOD YANG ZHENHUA (US) 2001-08-16 WO disclosed
CN-1282730-A Compounds with particular structure and anticancer activity and its preparing process YANG ZHENHUA (CN) 2001-02-07 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 (7 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-20220193107-A1 COMPOSITIONS COMPRISING S-ADENOSYLMETHIONINE AND A GALLIC ACID ESTER BHMT2, BHMT, MAT1A ESR1 598/4885AKR1C4 1989/4885AKR1C3 1733/4885
US-20190022119-A1 Compositions comprising S-Adenosylmethionine and a gallic acid ester BHMT2, BHMT, MAT1A ESR1 598/4885AKR1C4 1989/4885AKR1C3 1733/4885
US-20250275997-A1 Compositions Comprising S-Adenosylmethionine and a Gallic Acid Ester BHMT2, BHMT, MAT1A ESR1 598/4885AKR1C4 1989/4885AKR1C3 1733/4885
US-20200129537-A1 COMPOSITIONS COMPRISING S-ADENOSYLMETHIONINE AND A GALLIC ACID ESTER BHMT2, BHMT, MAT1A ESR1 598/4885AKR1C4 1989/4885AKR1C3 1733/4885
US-20220031729-A1 USE OF S-ADENOSYLMETHIONINE FOR PERSONALIZED TREATMENT OF DEPRESSION BHMT2, BHMT, MAT2A ESR1 1471/4885AKR1C4 2867/4885AKR1C3 2623/4885
US-12303524-B2 Compositions comprising S-adenosylmethionine and a gallic acid ester BHMT2, BHMT, MAT1A ESR1 598/4885AKR1C4 1989/4885AKR1C3 1733/4885
US-20140220129-A1 Compositions Comprising S-Adenosylmethionine and a Gallic Acid Ester BHMT2, BHMT, MAT1A ESR1 598/4885AKR1C4 1989/4885AKR1C3 1733/4885

“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.