SCHEMBL9607098

SCHEMBL9607098

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
FFAR1 O14842 1/20 0.57
FFAR4 Q5NUL3 1/20 0.57
FAAH O00519 4/20 0.50
LTB4R Q15722 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47
TERT O14746 3/20 0.44
PTPN1 P18031 3/20 0.44
PPARG P37231 3/20 0.44
PPARD Q03181 3/20 0.44
PPARA Q07869 3/20 0.44
CYP1A2 P05177 2/20 0.44
MAPT P10636 2/20 0.44
CYP2C19 P33261 2/20 0.44
BLM P54132 2/20 0.44
HSD17B10 Q99714 2/20 0.44
FABP4 P15090 2/20 0.44

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
SCHEMBL9607096 0.91 FFAR1 (0.70) NFKB1NFKB2RELAFFAR1FFAR4
SCHEMBL9607130 0.88 NFKB1 (0.74) NFKB1NFKB2RELAFFAR1FFAR4
SCHEMBL9607099 0.86 FFAR1 (0.56) NFKB1NFKB2RELAFFAR1FFAR4
SCHEMBL9607097 0.85 NFKB1 (0.53) NFKB1NFKB2RELAFFAR1FFAR4
SCHEMBL9607095 0.83 OXER1 (0.57) NFKB1NFKB2RELAFFAR1FFAR4
SCHEMBL13352197 0.82 FFAR1 (0.78) NFKB1NFKB2RELAFFAR1FFAR4
SCHEMBL26868694 0.82 FFAR1 (0.78) NFKB1NFKB2RELAFFAR1FFAR4
SCHEMBL20039910 0.82 FFAR1 (0.78) NFKB1NFKB2RELAFFAR1FFAR4
SCHEMBL26393254 0.82 FFAR1 (0.78) NFKB1NFKB2RELAFFAR1FFAR4
SCHEMBL1784610 0.82 PPARG (0.61) FFAR1FAAHALDH1A1TERTPTPN1

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 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.