SCHEMBL3300145

SCHEMBL3300145

COOC(CC(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.36
FOLH1 Q04609 2/20 0.35
ALOX15 P16050 2/20 0.32
MAPT P10636 1/20 0.32
LAP3 P28838 2/20 0.32
GABRR1 P24046 2/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL5157972 0.85 TDP1 (0.48) TDP1SMN1; SMN2SLC22A6FOLH1ALOX15
SCHEMBL10212 0.80 TDP1 (0.43) TDP1SMN1; SMN2SLC22A6FOLH1ALOX15
SCHEMBL2593546 0.80 TDP1 (0.43) TDP1SMN1; SMN2SLC22A6FOLH1ALOX15
SCHEMBL2580759 0.80 TDP1 (0.43) TDP1SMN1; SMN2SLC22A6FOLH1ALOX15
SCHEMBL11672388 0.78 TDP1 (0.42) TDP1SMN1; SMN2SLC22A6FOLH1ALOX15
SCHEMBL6742371 0.78 TDP1 (0.42) TDP1SMN1; SMN2SLC22A6FOLH1ALOX15
SCHEMBL6295978 0.77 GABRP (0.46) FOLH1
SCHEMBL11689315 0.76 TDP1 (0.40) TDP1SMN1; SMN2SLC22A6FOLH1GABRR1
SCHEMBL16407998 0.76 PPARA (0.42) TDP1SMN1; SMN2SLC22A6
SCHEMBL2185057 0.76 PPARA (0.42) TDP1SMN1; SMN2SLC22A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100092407-A1 TOOTH-BLEACHING MATERIAL AND METHOD OF BLEACHING TOOTH MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2010-04-15 US disclosed
EP-2130528-A1 TOOTH-BLEACHING MATERIAL AND METHOD OF BLEACHING TOOTH Mitsubishi Gas Chemical Company, Inc. (JP) 2009-12-09 EP disclosed
US-6964787-B2 Method and system for reducing microbial burden on a food product ECOLAB INC. (US) 2005-11-15 US disclosed
US-6927237-B2 Two solvent antimicrobial compositions and methods employing them ECOLAB INC. (US) 2005-08-09 US disclosed
US-20050096245-A1 Two solvent antimicrobial compositions and methods employing them ECOLAB INC. (US) 2005-05-05 US disclosed
US-20020192340-A1 Method and system for reducing microbial burden on a food product ECOLAB USA INC. 2002-12-19 US disclosed
US-20020168422-A1 Two solvent antimicrobial compositions and methods employing them ECOLAB USA INC. 2002-11-14 US disclosed
WO-2002060280-A2 METHOD AND SYSTEM FOR REDUCING MICROBIAL BURDEN ON A FOOD PRODUCT BY APPLICATION OF ANTIMICROBIAL AGENT AND IRRADIATION TO THE FOOD PRODUCT ECOLAB INC. (US) 2002-08-08 WO 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-20020168422-A1 Two solvent antimicrobial compositions and methods employing them TAS2R50, HDHD5, CEL TDP1 4047/4885SMN1; SMN2 1216/4885SLC22A6 1199/4885

“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.