SCHEMBL9607096

SCHEMBL9607096

CCCCC/C=C\CCCCCCCCC(O)C/C=C\CCC(O)C/C=C\CCC(C)=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.70
FFAR4 Q5NUL3 1/20 0.70
NFKB1 P19838 1/20 0.63
NFKB2 Q00653 1/20 0.63
RELA Q04206 1/20 0.63
FAAH O00519 4/20 0.61
TRPV1 Q8NER1 1/20 0.45
TERT O14746 3/20 0.45
PTPN1 P18031 3/20 0.45
PPARG P37231 3/20 0.45
PPARD Q03181 3/20 0.45
PPARA Q07869 3/20 0.45
CYP1A2 P05177 2/20 0.45
MAPT P10636 2/20 0.45
CYP2C19 P33261 2/20 0.45
BLM P54132 2/20 0.45
HSD17B10 Q99714 2/20 0.45
FABP4 P15090 2/20 0.45
KMT2A Q03164 2/20 0.45
GMNN O75496 1/20 0.45

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
SCHEMBL26393254 0.91 FFAR1 (0.78) FFAR1FFAR4NFKB1NFKB2RELA
SCHEMBL26868694 0.91 FFAR1 (0.78) FFAR1FFAR4NFKB1NFKB2RELA
SCHEMBL9607098 0.91 NFKB1 (0.62) FFAR1FFAR4NFKB1NFKB2RELA
SCHEMBL20039910 0.91 FFAR1 (0.78) FFAR1FFAR4NFKB1NFKB2RELA
SCHEMBL13352197 0.91 FFAR1 (0.78) FFAR1FFAR4NFKB1NFKB2RELA
SCHEMBL9607099 0.89 FFAR1 (0.56) FFAR1FFAR4NFKB1NFKB2RELA
SCHEMBL9607132 0.89 FFAR1 (0.84) FFAR1FFAR4NFKB1NFKB2RELA
SCHEMBL17081145 0.87 FFAR1 (0.71) FFAR1FFAR4NFKB1NFKB2RELA
SCHEMBL23092221 0.84 NFKB1 (0.67) FFAR1FFAR4NFKB1NFKB2RELA
SCHEMBL29735067 0.84 NFKB1 (0.67) FFAR1FFAR4NFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10006925-B2 Methods and systems for metabolite and/or lipid-based detection of colorectal cancer and/or adenomatous polyps Universal Diagnostics, S. L. (ES) 2018-06-26 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

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 FFAR1 41/4885FFAR4 12/4885NFKB1 514/4885

“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.