SCHEMBL16865359

SCHEMBL16865359

CCOC(=O)[C@H]([C@@H](O)/C=C/c1ccc(C)cc1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 3/20 0.35
CYP3A4 P08684 1/20 0.35
MAOB P27338 1/20 0.34
LMNA P02545 4/20 0.34
CYP1A2 P05177 2/20 0.34
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 3/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL16865338 1.00 CTDSP1 (0.35) CTDSP1NFKB1NFKB2RELACYP2C9
SCHEMBL17080643 1.00 CTDSP1 (0.35) CTDSP1NFKB1NFKB2RELACYP2C9
SCHEMBL16865337 0.91 MAPT (0.37) CTDSP1NFKB1NFKB2RELACYP3A4
SCHEMBL16865342 0.91 MAPT (0.37) CTDSP1NFKB1NFKB2RELACYP3A4
SCHEMBL16865363 0.91 MAPT (0.37) CTDSP1NFKB1NFKB2RELACYP3A4
SCHEMBL16865357 0.91 CTDSP1 (0.43) CTDSP1NFKB1NFKB2RELALMNA
SCHEMBL16865358 0.91 CTDSP1 (0.43) CTDSP1NFKB1NFKB2RELALMNA
SCHEMBL16865361 0.87 PTGS2 (0.40) MAOBLMNAALDH1A1KDM4EFBP1
SCHEMBL17072206 0.84 AKT1 (0.35) CTDSP1NFKB1NFKB2RELACYP2C9
SCHEMBL17072207 0.84 AKT1 (0.35) CTDSP1NFKB1NFKB2RELACYP2C9

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-9133488-B2 Synthetic methods and compounds related thereto UNIVERSITY OF ALASKA FAIRBANKS (US) 2015-09-15 US disclosed
US-20150184206-A1 SYNTHETIC METHODS AND COMPOUNDS RELATED THERETO UNIVERSITY OF ALASKA FAIRBANKS 2015-07-02 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-20150184206-A1 SYNTHETIC METHODS AND COMPOUNDS RELATED THERETO LSS, CYP51A1, FASN CTDSP1 1993/4885NFKB1 1146/4885NFKB2 1828/4885

“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.