SCHEMBL7549870

SCHEMBL7549870

CCCCC/C=C\C[C@H](O)CC/C=C\CCCCCCC(=O)O

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.89
FFAR4 Q5NUL3 2/20 0.89
NFKB1 P19838 1/20 0.84
NFKB2 Q00653 1/20 0.84
RELA Q04206 1/20 0.84
PPARG P37231 5/20 0.70
PPARD Q03181 5/20 0.70
PPARA Q07869 5/20 0.70
F7 P08709 5/20 0.70
F3 P13726 5/20 0.70
TERT O14746 3/20 0.70
PTPN1 P18031 3/20 0.70
HSD17B10 Q99714 3/20 0.70
FABP4 P15090 3/20 0.70
MAPT P10636 2/20 0.70
BLM P54132 2/20 0.70
FAAH O00519 2/20 0.70
LMNA P02545 2/20 0.70
ALOX15 P16050 2/20 0.70
DUSP3 P51452 2/20 0.70

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
SCHEMBL7557663 1.00 FFAR1 (0.89) FFAR1FFAR4NFKB1NFKB2RELA
SCHEMBL18258551 1.00 FFAR1 (0.89) FFAR1FFAR4NFKB1NFKB2RELA
SCHEMBL31187216 0.98 NFKB1 (0.86) FFAR1FFAR4NFKB1NFKB2RELA
SCHEMBL16681060 0.98 NFKB1 (0.86) FFAR1FFAR4NFKB1NFKB2RELA
SCHEMBL23925391 0.94 FFAR1 (1.00) FFAR1FFAR4NFKB1NFKB2RELA
SCHEMBL23925390 0.94 FFAR1 (1.00) FFAR1FFAR4NFKB1NFKB2RELA
Ricinoleic Acid SCHEMBL483797 0.94 FFAR1 (1.00) FFAR1FFAR4NFKB1NFKB2RELA
Ricinoleic Acid SCHEMBL25248998 0.94 FFAR1 (1.00) FFAR1FFAR4NFKB1NFKB2RELA
SCHEMBL22400911 0.94 FFAR1 (1.00) FFAR1FFAR4NFKB1NFKB2RELA
SCHEMBL21712 0.94 FFAR1 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020151734-A1 12-HETrE analogs and methods of use thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2002-10-17 US disclosed
WO-2002059072-A2 12-HYDROXY-EICOSATRIENOIC ACID ANALOGS AND METHODS OF USE THEREOF NEW YORK MEDICAL COLLEGE (US) 2002-08-01 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-20020151734-A1 12-HETrE analogs and methods of use thereof PTGIR, ALOX5, ALOX15B FFAR1 40/4885FFAR4 33/4885NFKB1 819/4885

“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.