SCHEMBL16092152

SCHEMBL16092152

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.69
▸ CYP19A1 P11511 4/20 0.69
▸ OXER1 Q8TDS5 4/20 0.69
▸ MAPT P10636 4/20 0.69
▸ PPARG P37231 4/20 0.69
▸ FFAR1 O14842 3/20 0.69
▸ RXRA P19793 2/20 0.69
▸ NFKB1 P19838 1/20 0.68
▸ NFKB2 Q00653 1/20 0.68
▸ RELA Q04206 1/20 0.68
▸ PTGS1 P23219 4/20 0.56
▸ F7 P08709 3/20 0.56
▸ F3 P13726 3/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ PPARD Q03181 2/20 0.56
▸ PPARA Q07869 2/20 0.56
▸ ADORA3 P0DMS8 1/20 0.56
▸ FFAR4 Q5NUL3 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ MEN1 O00255 1/20 0.53

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
SCHEMBL18258510 1.00 ALDH1A1 (0.69) ALDH1A1CYP19A1OXER1MAPTPPARG
SCHEMBL16681498 0.90 NFKB1 (0.80) ALDH1A1CYP19A1OXER1MAPTPPARG
SCHEMBL18258565 0.90 NFKB1 (0.80) ALDH1A1CYP19A1OXER1MAPTPPARG
SCHEMBL1141473 0.89 NFKB1 (0.56) ALDH1A1CYP19A1OXER1MAPTPPARG
SCHEMBL18258559 0.88 NFKB1 (0.78) ALDH1A1CYP19A1OXER1MAPTPPARG
SCHEMBL18258562 0.88 NFKB1 (0.78) ALDH1A1CYP19A1OXER1MAPTPPARG
SCHEMBL23646056 0.85 ALDH1A1 (0.76) ALDH1A1CYP19A1OXER1MAPTPPARG
SCHEMBL23646062 0.85 ALDH1A1 (0.76) ALDH1A1CYP19A1OXER1MAPTPPARG
SCHEMBL23646058 0.85 ALDH1A1 (0.76) ALDH1A1CYP19A1OXER1MAPTPPARG
SCHEMBL23646060 0.85 ALDH1A1 (0.76) ALDH1A1CYP19A1OXER1MAPTPPARG

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-9315447-B2 Compositions and methods for the treatment of inflammation A.T. Resolve Sarl (CH) 2016-04-19 — — US disclosed
US-20140275247-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION A.T. Resolve Sarl (CH) 2014-09-18 — — 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-20140275247-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION ALOX15B, ALOX5, ALOX12 ALDH1A1 2449/4885CYP19A1 772/4885OXER1 273/4885

“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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