SCHEMBL3377422

SCHEMBL3377422

C=CCc1[nH]ccc(=O)c1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.35
GABRB2 P47870 3/20 0.35
XDH P47989 1/20 0.32
CCR8 P51685 1/20 0.32
GAA P10253 2/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
SRD5A1 P18405 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALDH2 P05091 1/20 0.32
AKR1B1 P15121 1/20 0.32
HPGD P15428 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 2/20 0.32

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
SCHEMBL3208944 0.76
SCHEMBL8663414 0.76 CCR8 (0.37) CCR8KMT2AKDM4EALDH1A1HPGD
SCHEMBL6955683 0.75 GABRA1 (0.37) GABRA1GABRB2CCR8KMT2AKDM4E
SCHEMBL8718496 0.72 GABRA1 (0.48) GABRA1GABRB2GAAKMT2AMEN1
SCHEMBL10427969 0.72 KMT2A (0.33) KMT2A
SCHEMBL9681824 0.70 CA12 (0.33) CCR8KMT2A
SCHEMBL4798157 0.70 KEAP1 (0.37) GAAKMT2AMAPTKDM4EALDH1A1
SCHEMBL1655686 0.70 GABRA1 (0.36) GABRA1GABRB2POLB
Hydrochloric Acid SCHEMBL10818767 0.69 KEAP1 (0.36) GAAKMT2AMAPTKDM4EALDH1A1
SCHEMBL10818764 0.69 KMT2A (0.32) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352447-B2 Gellan gum hydrogels, preparation, methods and uses thereof Stemmatters, Biotecnologia e Medicina Regenerativa, S.A. (PT) 2022-06-07 US disclosed
US-20190330384-A1 GELLAN GUM HYDROGELS, PREPARATION, METHODS AND USES THEREOF Stemmatters, Biotecnologia e Medicina Regenerativa, S.A. (PT) 2019-10-31 US disclosed
EP-3433283-A1 GELLAN GUM HYDROGELS, PREPARATION, METHODS AND USES THEREOF Stemmatters, Biotecnologia e Medicina Regenerativa, S.A. (PT) 2019-01-30 EP disclosed
CN-109153734-A Gellan gum hydrogel, preparation method and application thereof 斯泰玛特斯,生物技术药物改造有限公司 2019-01-04 CN disclosed
CN-107266359-A A kind of chelating agent, its synthetic method and purposes and the chelate containing the chelating agent 原子高科股份有限公司 2017-10-20 CN disclosed
WO-2017163222-A1 GELLAN GUM HYDROGELS, PREPARATION, METHODS AND USES THEREOF Stemmatters, Biotecnologia e Medicina Regenerativa, S.A. (PT) 2017-09-28 WO disclosed
US-8334320-B2 Methods for chelation therapy UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-12-18 US disclosed
US-20100310460-A1 COMPOSITIONS AND METHODS FOR CHELATION THERAPY LIU GANG 2010-12-09 US disclosed
US-7728038-B2 Methods for chelation therapy UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2010-06-01 US disclosed
US-20060030619-A1 Compositions and methods for chelation therapy UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2006-02-09 US disclosed
US-5814614-A Substituted glucose compounds for toxic metal ion removal from the body KRUCK THEO P A (CA) 1998-09-29 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 (4 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-20100310460-A1 COMPOSITIONS AND METHODS FOR CHELATION THERAPY SOST, SOD3, HIF1AN GABRA1 4702/4885GABRB2 4663/4885XDH 499/4885
US-20060030619-A1 Compositions and methods for chelation therapy SOST, SOD3, HIF1AN GABRA1 4702/4885GABRB2 4663/4885XDH 499/4885
US-11352447-B2 Gellan gum hydrogels, preparation, methods and uses thereof GYPA, CD44, ALG1 GABRA1 1397/4885GABRB2 1580/4885XDH 3218/4885
US-20190330384-A1 GELLAN GUM HYDROGELS, PREPARATION, METHODS AND USES THEREOF GYPA, CD44, ALG1 GABRA1 1397/4885GABRB2 1580/4885XDH 3218/4885

“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.