SCHEMBL7554172

SCHEMBL7554172

CCCCCCCC[C@@H](O)CC/C=C\C/C=C\CCCC(=O)O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 1/20 0.77
▸ NFKB2 Q00653 1/20 0.77
▸ RELA Q04206 1/20 0.77
▸ ALDH1A1 P00352 5/20 0.69
▸ PPARG P37231 5/20 0.69
▸ PPARD Q03181 4/20 0.69
▸ PPARA Q07869 4/20 0.69
▸ KDM4E B2RXH2 2/20 0.69
▸ LMNA P02545 2/20 0.69
▸ CYP3A4 P08684 2/20 0.69
▸ CYP19A1 P11511 2/20 0.69
▸ FABP4 P15090 2/20 0.69
▸ HPGD P15428 2/20 0.69
▸ ALOX15 P16050 2/20 0.69
▸ NR4A2 P43354 2/20 0.69
▸ HSD17B10 Q99714 2/20 0.69
▸ TDP1 Q9NUW8 2/20 0.69
▸ AKR1C3 P42330 2/20 0.69
▸ L3MBTL1 Q9Y468 2/20 0.69
▸ MEN1 O00255 1/20 0.69

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
SCHEMBL18258564 1.00 NFKB1 (0.77) NFKB1NFKB2RELAALDH1A1PPARG
SCHEMBL7551354 1.00 NFKB1 (0.77) NFKB1NFKB2RELAALDH1A1PPARG
SCHEMBL31187215 0.98 NFKB1 (0.79) NFKB1NFKB2RELAALDH1A1PPARG
SCHEMBL18258515 0.98 NFKB1 (0.79) NFKB1NFKB2RELAALDH1A1PPARG
SCHEMBL31187222 0.97 NFKB1 (0.77) NFKB1NFKB2RELAALDH1A1PPARG
SCHEMBL18258540 0.96 NFKB1 (0.75) NFKB1NFKB2RELAALDH1A1PPARG
SCHEMBL27968801 0.96 NFKB1 (0.75) NFKB1NFKB2RELAALDH1A1PPARG
SCHEMBL6703858 0.94 NFKB1 (0.77) NFKB1NFKB2RELAALDH1A1PPARG
SCHEMBL6703852 0.94 NFKB1 (0.77) NFKB1NFKB2RELAALDH1A1PPARG
SCHEMBL18258525 0.94 NFKB1 (0.77) NFKB1NFKB2RELAALDH1A1PPARG

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 NFKB1 819/4885NFKB2 980/4885RELA 1648/4885

“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.

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