SCHEMBL26227

SCHEMBL26227

CC(=O)c1cccc(C(=O)[O-])c1O.CC(=O)c1cccc(C(=O)[O-])c1O.[Ca+2]

nearest known ligand 0.47

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
MAPT P10636 2/20 0.40
THRB P10828 1/20 0.40
MEN1 O00255 1/20 0.40
NSD2 O96028 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 1/20 0.40
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BRPF1 P55201 1/20 0.37
PBRM1 Q86U86 1/20 0.36
ALB P02768 1/20 0.35
MMP2 P08253 1/20 0.35

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
SCHEMBL25283 0.96 KDM4E (0.47) KDM4EALDH1A1HPGDMAPTTHRB
SCHEMBL10404578 0.96 KDM4E (0.47) KDM4EALDH1A1HPGDMAPTTHRB
SCHEMBL2133320 0.96 KDM4E (0.52) KDM4EALDH1A1HPGDMAPTTHRB
Silver SCHEMBL191053 0.96 KDM4E (0.47) KDM4EALDH1A1HPGDMAPTTHRB
SCHEMBL4966622 0.96 KDM4E (0.47) KDM4EALDH1A1HPGDMAPTTHRB
Lithium Ion SCHEMBL1457619 0.96 KDM4E (0.47) KDM4EALDH1A1HPGDMAPTTHRB
SCHEMBL4393614 0.96 KDM4E (0.47) KDM4EALDH1A1HPGDMAPTTHRB
Potassium Ion SCHEMBL5250865 0.96 KDM4E (0.47) KDM4EALDH1A1HPGDMAPTTHRB
SCHEMBL20484784 0.96 KDM4E (0.47) KDM4EALDH1A1HPGDMAPTTHRB
SCHEMBL11433030 0.96 KDM4E (0.47) KDM4EALDH1A1HPGDMAPTTHRB

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 1733 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3457848-B1 AGROCHEMICAL COMBINATION CROP INTELLECT LTD (GB) 2024-08-07 EP claimed
US-20240041935-A1 PREVENTION AND TREATMENT OF REPRODUCTIVE FAILURE BY REGENERATIVE CELLS AND ADJUVANTS CREATIVE MEDICAL TECHNOLOGIES, INC. (US) 2024-02-08 US claimed
CN-108329205-B Preparation method of bis (2-acetoxybenzoic acid) calcium urea compound 山东新华制药股份有限公司 2021-04-02 CN claimed
US-10912295-B2 Agrochemical combination CROP INTELLECT LTD. (GB) 2021-02-09 US claimed
EP-2822532-B1 AQUEOUS POLYURETHANE DISPERSION IN THE TREATMENT OF ACNE COVESTRO DEUTSCHLAND AG (DE) 2018-09-19 EP claimed
CN-106729644-A A kind of gentle multiple-effect ectylotic and preparation method thereof 郑州兰茜生物工程有限公司 2017-05-31 CN claimed
CN-106420491-A Multifunctional skin care product with effects of whitening skin, removing freckles, preserving moisture and removing wrinkle and preparation method of multifunctional skin care product 郑州兰茜生物工程有限公司 2017-02-22 CN claimed
CN-106389139-A Acne-removing, mark-eliminating and skin-protecting multifunctional preparation and preparation method thereof 河南工业大学 2017-02-15 CN claimed
US-20150080352-A1 AQUEOUS POLYURETHANE DISPERSION IN THE TREATMENT OF ACNE BAYER MATERIALSCIENCE LLC (US) 2015-03-19 US claimed
EP-2822532-A2 AQUEOUS POLYURETHANE DISPERSION IN THE TREATMENT OF ACNE Bayer Intellectual Property GmbH (DE) 2015-01-14 EP claimed
EP-0759750-A4 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO HOWARD K (US) 1998-05-27 EP claimed
WO-1998020864-A2 USE OF SELECTED NON-STEROIDAL ANTIINFLAMMATORY COMPOUNDS FOR THE PREVENTION AND THE TREATMENT OF NEURODEGENERATIVE DISEASES UNIVERSITA' DEGLI STUDI DI BRESCIA - DIPARTIMENTO DI SCIENZE BIOMEDICHE (IT) 1998-05-22 WO claimed
EP-0792371-A1 COMBINATION METHOD FOR ACNE TREATMENT Merck & Co., Inc. (US) 1997-09-03 EP claimed
EP-0759750-A1 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO, Howard, K. (US) 1997-03-05 EP claimed
US-5543417-A 5 Alpha-reductase inhibitor and at least one of an antibacterial agent, a keratolytic agent or an anti-inflammatory agent MERCK & CO., INC. (US) 1996-08-06 US claimed
WO-1996012817-A1 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO., INC. (US) 1996-05-02 WO claimed
WO-1995031194-A1 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO HOWARD K (US) 1995-11-23 WO claimed
EP-0024690-B1 ANALGESIC MIXTURE OF NALBUPHINE AND ACETYLSALICYLIC ACID, DERIVATIVE OR SALT THEREOF E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-07-20 EP claimed
US-4282215-A Analgesic mixture of nalbuphine and acetylsalicylic acid, derivative or salt thereof E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-08-04 US claimed
EP-0024690-A1 Analgesic mixture of nalbuphine and acetylsalicylic acid, derivative or salt thereof E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-03-11 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20150080352-A1 AQUEOUS POLYURETHANE DISPERSION IN THE TREATMENT OF ACNE UROD, CUTA, PUF60 KDM4E 4264/4885ALDH1A1 108/4885HPGD 75/4885
US-10912295-B2 Agrochemical combination PLD1, ITPA, PLD2 KDM4E 2368/4885ALDH1A1 705/4885HPGD 968/4885

“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.