SCHEMBL3689872

SCHEMBL3689872

O=C(O)CN(CCCN(CC(=O)O)Cc1ccccc1O)Cc1ccccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.52
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ RECQL P46063 1/20 0.43
▸ HTR1A P08908 1/20 0.40
▸ MEP1B Q16820 1/20 0.40
▸ TDP1 Q9NUW8 4/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSPA5 P11021 1/20 0.39
▸ TSHR P16473 3/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ HIF1A Q16665 2/20 0.39
▸ EYA2 O00167 1/20 0.38
▸ APP P05067 1/20 0.38
▸ ACE P12821 1/20 0.38

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
SCHEMBL1263592 0.95 AKR1B1 (0.50) AKR1B1MEN1KMT2ARECQLHTR1A
SCHEMBL8966423 0.93 AKR1B1 (0.55) AKR1B1MEN1KMT2ARECQLHTR1A
SCHEMBL29393657 0.93 AKR1B1 (0.55) AKR1B1MEN1KMT2ARECQLHTR1A
SCHEMBL453848 0.93 AKR1B1 (0.55) AKR1B1MEN1KMT2ARECQLHTR1A
SCHEMBL23629774 0.92 AKR1B1 (0.53) AKR1B1MEN1KMT2ARECQLHTR1A
Water SCHEMBL505782 0.92 AKR1B1 (0.53) AKR1B1MEN1KMT2ARECQLHTR1A
SCHEMBL8939988 0.92 AKR1B1 (0.53) AKR1B1MEN1KMT2ARECQLHTR1A
SCHEMBL15864891 0.92 AKR1B1 (0.53) AKR1B1MEN1KMT2ARECQLHTR1A
SCHEMBL1314141 0.92 AKR1B1 (0.53) AKR1B1MEN1KMT2ARECQLHTR1A
Hydrochloric Acid SCHEMBL935435 0.92 AKR1B1 (0.53) AKR1B1MEN1KMT2ARECQLHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9968633-B2 Stimuli responsive compositions for iron chelation WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2018-05-15 — — US claimed
US-20170239182-A1 PHARMACEUTICAL FORMULATIONS OF AND METHODS TO PREPARE CHELATING AGENTS FOR EFFICIENT METAL REMOVAL TREATMENT SYSTEMS HAYES MARK E (US) 2017-08-24 — — US claimed
US-20170231910-A1 PHARMACEUTICAL FORMULATIONS OF CHELATING AGENTS AS A METAL REMOVAL TREATMENT SYSTEM HAYES MARK E (US) 2017-08-17 — — US claimed
US-20160184344-A1 STIMULI RESPONSIVE COMPOSITIONS FOR IRON CHELATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-30 — — US claimed
WO-2016025559-A1 PHARMACEUTICAL FORMULATIONS OF AND METHODS TO PREPARE CHELATING AGENTS FOR EFFICIENT METAL REMOVAL TREATMENT SYSTEMS ZONEONE PHARMA, INC. (US) 2016-02-18 — — WO claimed
WO-2016025611-A2 PHARMACEUTICAL FORMULATIONS OF CHELATING AGENTS AS A METAL REMOVAL TREATMENT SYSTEM ZONEONE PHARMA, INC. (US) 2016-02-18 — — WO claimed
WO-2014153192-A1 PHARMACEUTICAL FORMULATIONS OF CHELATING AGENTS AS A METAL REMOVAL TREATMENT SYSTEM ZONEONE PHARMA, INC. (US) 2014-09-25 — — WO claimed
US-20140271825-A1 PHARMACEUTICAL FORMULATIONS OF CHELATING AGENTS AS A METAL REMOVAL TREATMENT SYSTEM ZONEONE PHARMA, INC. 2014-09-18 — — US claimed
EP-0225051-B1 THE TREATMENT OF AQUEOUS SYSTEMS W.R. Grace & Co.-Conn. (US) 1992-02-19 — — EP claimed
US-4778655-A CORROSION INHIBITION BY ADDING SOLUBLE ZINC SALT, CHELATING AGENT, COMPOUND HAVING BOTH A PHOSPHOROUS AND A CARBOXYL GROUP W. R. GRACE & CO. (US) 1988-10-18 — — US claimed
EP-0225051-A1 The treatment of aqueous systems W.R. Grace & Co.-Conn. (US) 1987-06-10 — — EP claimed
US-9968633-B2 Stimuli responsive compositions for iron chelation WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2018-05-15 — — US disclosed
US-20170239182-A1 PHARMACEUTICAL FORMULATIONS OF AND METHODS TO PREPARE CHELATING AGENTS FOR EFFICIENT METAL REMOVAL TREATMENT SYSTEMS HAYES MARK E (US) 2017-08-24 — — US disclosed
US-20170231910-A1 PHARMACEUTICAL FORMULATIONS OF CHELATING AGENTS AS A METAL REMOVAL TREATMENT SYSTEM HAYES MARK E (US) 2017-08-17 — — US disclosed
US-20170209400-A1 METHODS AND TOPICAL FORMULATIONS FOR TREATING INFLAMMATION LIVIONEX INC (US) 2017-07-27 — — US disclosed
US-4778655-A CORROSION INHIBITION BY ADDING SOLUBLE ZINC SALT, CHELATING AGENT, COMPOUND HAVING BOTH A PHOSPHOROUS AND A CARBOXYL GROUP W. R. GRACE & CO. (US) 1988-10-18 — — US disclosed
US-4338460-A Process for preparing chelating agents W. R. GRACE & CO. (US) 1982-07-06 — — US disclosed
US-4225502-A CHELATING AGENTS W. R. GRACE & CO. (US) 1980-09-30 — — US disclosed
US-4152345-A FOR USE IN PLATING BATHS, HORTICULTURE, STAIN REMOVAL W. R. GRACE & CO. (US) 1979-05-01 — — US disclosed
US-4069249-A CHELATING AGENTS W. R. GRACE & CO. (US) 1978-01-17 — — 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 (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-20160184344-A1 STIMULI RESPONSIVE COMPOSITIONS FOR IRON CHELATION CD47, HBG2, HBG1 AKR1B1 3457/4885MEN1 4608/4885KMT2A 3391/4885
US-20170209400-A1 METHODS AND TOPICAL FORMULATIONS FOR TREATING INFLAMMATION MMP8, CXCL8, MMP1 AKR1B1 3156/4885MEN1 3959/4885KMT2A 713/4885

“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.

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