SCHEMBL3300140

SCHEMBL3300140

COOC(=O)CCC(=O)OO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
HTT P42858 1/20 0.32
ADRA2A P08913 1/20 0.31
ADRA1A P35348 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
MEN1 O00255 1/20 0.30
BLM P54132 1/20 0.30
KDM6B O15054 1/20 0.30
KDM5C P41229 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
PHF8 Q9UPP1 1/20 0.30

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
SCHEMBL6213397 0.90 TSHR (0.44) TSHRLMNAALDH1A1MAPTKMT2A
SCHEMBL5611206 0.90 TSHR (0.50) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL10211 0.89 TSHR (0.56) TSHRLMNAKDM4EALDH1A1HSD17B10
SCHEMBL6295981 0.88 TSHR (0.42) TSHRLMNAALDH1A1MAPTKMT2A
SCHEMBL6295113 0.88 TSHR (0.42) TSHRLMNAALDH1A1MAPTKMT2A
SCHEMBL38893 0.80 TSHR (0.47) TSHRLMNAKDM4EALDH1A1HSD17B10
SCHEMBL30150833 0.79 ALDH1A1 (0.53) TSHRLMNAKDM4EALDH1A1HSD17B10
SCHEMBL6296202 0.79 TSHR (0.39) TSHRALDH1A1HSD17B10KMT2AMGAM
SCHEMBL10214 0.79 EGLN1 (0.50) TSHRLMNAKDM4EALDH1A1KDM6B
SCHEMBL27792144 0.78 TSHR (0.77) TSHRLMNAKDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313515-A2 METHODS AND AGENTS FOR CLEANING AND DISINFECTING FRAGILE MEDICAL APPLIANCES Ecolab GmbH & CO. OHG (DE) 2003-05-28 EP claimed
WO-2001047565-A2 METHODS AND AGENTS FOR CLEANING AND DISINFECTING FRAGILE MEDICAL APPLIANCES ECOLAB GMBH & CO. OHG (DE) 2001-07-05 WO claimed
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
EP-1313515-A2 METHODS AND AGENTS FOR CLEANING AND DISINFECTING FRAGILE MEDICAL APPLIANCES Ecolab GmbH & CO. OHG (DE) 2003-05-28 EP 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
WO-2001047565-A2 METHODS AND AGENTS FOR CLEANING AND DISINFECTING FRAGILE MEDICAL APPLIANCES ECOLAB GMBH & CO. OHG (DE) 2001-07-05 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 TSHR 4520/4885LMNA 3815/4885KDM4E 4060/4885

“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.