SCHEMBL9607130

SCHEMBL9607130

CCCCC/C=C\CCCC/C=C\CCC(O)CC/C=C\CC(O)C/C=C\CCC(=O)O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.74
NFKB2 Q00653 1/20 0.74
RELA Q04206 1/20 0.74
FFAR1 O14842 2/20 0.69
FFAR4 Q5NUL3 1/20 0.69
LTB4R Q15722 2/20 0.57
ALDH1A1 P00352 1/20 0.57
LTB4R2 Q9NPC1 1/20 0.57
FAAH O00519 2/20 0.56
PPARG P37231 4/20 0.56
TERT O14746 3/20 0.56
PTPN1 P18031 3/20 0.56
PPARD Q03181 3/20 0.56
PPARA Q07869 3/20 0.56
TOP1 P11387 3/20 0.56
MAPT P10636 2/20 0.56
BLM P54132 2/20 0.56
HSD17B10 Q99714 2/20 0.56
FABP4 P15090 2/20 0.56
GMNN O75496 1/20 0.56

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
SCHEMBL9607132 0.91 FFAR1 (0.84) NFKB1NFKB2RELAFFAR1FFAR4
SCHEMBL9607153 0.90 NFKB1 (0.66) NFKB1NFKB2RELAFFAR1FFAR4
SCHEMBL31187216 0.89 NFKB1 (0.86) NFKB1NFKB2RELAFFAR1FFAR4
SCHEMBL16681060 0.89 NFKB1 (0.86) NFKB1NFKB2RELAFFAR1FFAR4
SCHEMBL7549870 0.88 FFAR1 (0.89) NFKB1NFKB2RELAFFAR1FFAR4
SCHEMBL9607098 0.88 NFKB1 (0.62) NFKB1NFKB2RELAFFAR1FFAR4
SCHEMBL7557663 0.88 FFAR1 (0.89) NFKB1NFKB2RELAFFAR1FFAR4
SCHEMBL18258551 0.88 FFAR1 (0.89) NFKB1NFKB2RELAFFAR1FFAR4
SCHEMBL9607135 0.86 FFAR1 (0.67) NFKB1NFKB2RELAFFAR1FFAR4
SCHEMBL16431123 0.86 FFAR1 (0.80) NFKB1NFKB2RELAFFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180196074-A1 METHODS AND SYSTEMS FOR METABOLITE AND/OR LIPID-BASED DETECTION OF COLORECTAL CANCER AND/OR ADENOMATOUS POLYPS Universal Diagnostics, S.A. (ES) 2018-07-12 US disclosed
US-20170343567-A1 METHODS AND SYSTEMS FOR METABOLITE AND/OR LIPID-BASED DETECTION OF COLORECTAL CANCER AND/OR ADENOMATOUS POLYPS Universal Diagnostics, S.A. (ES) 2017-11-30 US disclosed
US-20120136057-A1 HYDROXY FATTY ACID COMPOUNDS AND USES THEREOF FOR DISEASE TREATMENT AND DIAGNOSIS PHENOMENOME DISCOVERIES INC. (CA) 2012-05-31 US disclosed
US-20120136057-A1 HYDROXY FATTY ACID COMPOUNDS AND USES THEREOF FOR DISEASE TREATMENT AND DIAGNOSIS PHENOMENOME DISCOVERIES INC. (CA) 2012-05-31 US disclosed
WO-2011011882-A1 HYDROXY FATTY ACID COMPOUNDS AND USES THEREOF FOR DISEASE TREATMENT AND DIAGNOSIS PHENOMENOME DISCOVERIES INC. (CA) 2011-02-03 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-20120136057-A1 HYDROXY FATTY ACID COMPOUNDS AND USES THEREOF FOR DISEASE TREATMENT AND DIAGNOSIS HCAR2, ALOX5, ALOX12 NFKB1 514/4885NFKB2 245/4885RELA 240/4885

“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.