SCHEMBL4294934

SCHEMBL4294934

CCC(CO)CCCCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.56
▸ GSTK1 Q9Y2Q3 2/20 0.53
▸ FFAR4 Q5NUL3 2/20 0.50
▸ FFAR1 O14842 2/20 0.50
▸ AKR1B1 P15121 1/20 0.48
▸ GPR84 Q9NQS5 7/20 0.46
▸ PPARG P37231 6/20 0.46
▸ PPARD Q03181 6/20 0.46
▸ PPARA Q07869 6/20 0.46
▸ HDAC11 Q96DB2 5/20 0.46
▸ TSHR P16473 4/20 0.46
▸ TLR2 O60603 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ FABP4 P15090 2/20 0.46
▸ PTPN1 P18031 2/20 0.46
▸ SLC22A6 Q4U2R8 1/20 0.46
▸ SLC22A8 Q8TCC7 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ESR1 P03372 1/20 0.46
▸ ALOX15 P16050 1/20 0.46

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
SCHEMBL17062986 0.98 GSTK1 (0.55) ALDH1A1GSTK1FFAR4FFAR1GPR84
SCHEMBL10698108 0.98 GSTK1 (0.55) ALDH1A1GSTK1FFAR4FFAR1GPR84
SCHEMBL8018732 0.94 ALDH1A1 (0.58) ALDH1A1GSTK1FFAR4FFAR1AKR1B1
Hexanoate SCHEMBL11509898 0.93 FFAR4 (0.62) ALDH1A1FFAR4FFAR1AKR1B1GPR84
Adipic Acid SCHEMBL17817818 0.92 ALDH1A1 (0.69) ALDH1A1FFAR4FFAR1AKR1B1GPR84
Sebacic Acid SCHEMBL17817821 0.90 ALDH1A1 (0.67) ALDH1A1FFAR4FFAR1AKR1B1GPR84
Azelaic Acid SCHEMBL18043679 0.90 ALDH1A1 (0.67) ALDH1A1FFAR4FFAR1AKR1B1GPR84
Sebacic Acid SCHEMBL30542922 0.90 ALDH1A1 (0.67) ALDH1A1FFAR4FFAR1AKR1B1GPR84
SCHEMBL6691203 0.89 GSTK1 (0.59) ALDH1A1GSTK1FFAR4FFAR1AKR1B1
Stearic Acid SCHEMBL10277719 0.89 ALDH1A1 (0.64) ALDH1A1FFAR4FFAR1AKR1B1GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193148-B2 Short fatty acid tail polymyxin derivatives and uses thereof NORTHERN ANTIBIOTICS LTD. (FI) 2012-06-05 — — US disclosed
US-20090239792-A1 SHORT FATTY ACID TAIL POLYMYXIN DERIVATIVES AND USES THEREOF NORTHERN ANTIBIOTICS LTD. (FI) 2009-09-24 — — 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 (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-20090239792-A1 SHORT FATTY ACID TAIL POLYMYXIN DERIVATIVES AND USES THEREOF TLR5, TLR3, TLR2 ALDH1A1 4688/4885GSTK1 1686/4885FFAR4 30/4885

“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.

Send feedback