SCHEMBL6300743

SCHEMBL6300743

CC(CCCC(=O)O)C(=O)OO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
FFAR4 Q5NUL3 1/20 0.41
FFAR1 O14842 1/20 0.41
GABRP O00591 2/20 0.40
GABRD O14764 2/20 0.40
GABRA1 P14867 2/20 0.40
GABRB1 P18505 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRA2 P47869 2/20 0.40
GABRB2 P47870 2/20 0.40
GABRA4 P48169 2/20 0.40
GABRE P78334 2/20 0.40
GABRA6 Q16445 2/20 0.40
GABRG1 Q8N1C3 2/20 0.40
GABRG3 Q99928 2/20 0.40
GABRQ Q9UN88 2/20 0.40
LMNA P02545 2/20 0.40

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
SCHEMBL6295117 0.94 FFAR4 (0.48) CYP1A2FFAR4FFAR1LMNASLC22A6
SCHEMBL6295983 0.92 FFAR4 (0.52) FFAR4FFAR1LMNASLC22A6GSTK1
SCHEMBL4451789 0.87 CYP1A2 (0.60) CYP1A2FFAR4FFAR1GABRPGABRD
SCHEMBL4428415 0.83 MAPT (0.35) CYP1A2LMNATSHRALDH1A1
SCHEMBL710385 0.83 TSHR (0.48) CYP1A2FFAR4FFAR1GABRPGABRD
SCHEMBL7529164 0.82 FFAR4 (0.44) CYP1A2FFAR4FFAR1GABRPGABRD
SCHEMBL27495367 0.80 TSHR (0.52) LMNATSHRALDH1A1
SCHEMBL22115931 0.79 FFAR4 (0.50) CYP1A2FFAR4FFAR1LMNASLC22A6
SCHEMBL27703574 0.79 FFAR4 (0.46) CYP1A2FFAR4FFAR1SLC22A6TSHR
SCHEMBL6327960 0.79 CYP1A2 (0.41) CYP1A2FFAR4FFAR1GABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYP1A2 630/4885FFAR4 3167/4885FFAR1 1924/4885

“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.