SCHEMBL15224306

SCHEMBL15224306

CC(C)=CCC(=O)C(C)CCc1cc(C(=O)O)cc(CC=C(C)C)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B10 O60218 2/20 0.44
▸ AKR1B1 P15121 2/20 0.44
▸ AKR1C3 P42330 2/20 0.44
▸ MMP2 P08253 1/20 0.44
▸ PAK1 Q13153 1/20 0.44
▸ HTT P42858 3/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ PTPN1 P18031 2/20 0.37
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ SOAT2 O75908 1/20 0.35
▸ SOAT1 P35610 1/20 0.35

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
SCHEMBL15224343 0.92 AKR1B10 (0.38) AKR1B10AKR1B1AKR1C3MMP2PAK1
SCHEMBL15224326 0.92 AKR1B10 (0.38) AKR1B10AKR1B1AKR1C3MMP2PAK1
SCHEMBL15224328 0.80 AKR1B10 (0.42) AKR1B10AKR1B1AKR1C3MMP2PAK1
SCHEMBL15224329 0.80 AKR1B10 (0.42) AKR1B10AKR1B1AKR1C3MMP2PAK1
SCHEMBL12846394 0.76 BACE1 (0.48) PTPN1ALOX5PTGESPPARGPPARD
SCHEMBL30392193 0.74 HTT (0.55) AKR1B10AKR1B1AKR1C3MMP2PAK1
SCHEMBL15281214 0.73 AKR1B10 (0.34) AKR1B10AKR1B1AKR1C3MMP2PAK1
SCHEMBL16224829 0.73 AKR1B10 (0.37) AKR1B10AKR1B1AKR1C3MMP2PAK1
SCHEMBL31058467 0.72 PTPN1 (0.39) PTPN1ALOX5PTGESHIF1A
SCHEMBL15224309 0.72 AKR1B10 (0.48) AKR1B10AKR1B1AKR1C3MMP2PAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2633886-B1 COMPOUNDS AND MIXTURES INFLUENCING INFLAMMATORY STATES SYMRISE AG (DE) 2018-01-31 — — EP disclosed
US-8906958-B2 Compounds and mixtures for influencing inflammatory states SYMRISE AG (DE) 2014-12-09 — — US disclosed
US-8906958-B2 Compounds and mixtures for influencing inflammatory states SYMRISE AG (DE) 2014-12-09 — — US disclosed
US-20130251730-A1 Compounds and Mixtures Influencing Inflammatory States SYMRISE AG (DE) 2013-09-26 — — US disclosed
US-20130251730-A1 Compounds and Mixtures Influencing Inflammatory States SYMRISE AG (DE) 2013-09-26 — — US disclosed
US-20130236472-A1 COMPOUNDS AND MIXTURES FOR INFLUENCING INFLAMMATORY STATES SYMRISE AG (DE) 2013-09-12 — — US disclosed
US-20130236472-A1 COMPOUNDS AND MIXTURES FOR INFLUENCING INFLAMMATORY STATES SYMRISE AG (DE) 2013-09-12 — — US disclosed
EP-2633885-A1 Compounds and mixtures for affecting inflammatory conditions Symrise AG (DE) 2013-09-04 — — EP disclosed
EP-2633886-A1 Compounds and mixtures influencing inflammatory states Symrise AG (DE) 2013-09-04 — — EP 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 (2 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-20130251730-A1 Compounds and Mixtures Influencing Inflammatory States MSR1, MPO, IL1B AKR1B10 503/4885AKR1B1 434/4885AKR1C3 196/4885
US-20130236472-A1 COMPOUNDS AND MIXTURES FOR INFLUENCING INFLAMMATORY STATES TNF, CXCL8, IL1B AKR1B10 842/4885AKR1B1 638/4885AKR1C3 407/4885

“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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