SCHEMBL5213009

SCHEMBL5213009

CCOC(=O)COCC=CCN1C(=O)CC[C@@H]1CO

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
ABL1 P00519 1/20 0.34
RIN1 Q13671 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 1/20 0.32
ALDH1A1 P00352 3/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL5215716 1.00 KMT2A (0.37) KMT2AABL1RIN1TDP1TSHR
SCHEMBL5213001 1.00 KMT2A (0.37) KMT2AABL1RIN1TDP1TSHR
SCHEMBL4389232 0.93 KMT2A (0.38) KMT2AABL1RIN1TDP1TSHR
SCHEMBL4389227 0.93 KMT2A (0.38) KMT2AABL1RIN1TDP1TSHR
SCHEMBL4389223 0.93 KMT2A (0.38) KMT2AABL1RIN1TDP1TSHR
SCHEMBL14463964 0.85 KMT2A (0.38) KMT2AABL1RIN1TDP1TSHR
SCHEMBL5214696 0.85 KMT2A (0.38) KMT2AABL1RIN1TDP1TSHR
SCHEMBL5214704 0.85 KMT2A (0.38) KMT2AABL1RIN1TDP1TSHR
SCHEMBL5214702 0.85 KMT2A (0.38) KMT2AABL1RIN1TDP1TSHR
Water SCHEMBL5249964 0.81 ALDH1A1 (0.39) KMT2ATSHRALDH1A1L3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1408961-B1 2 PYRROLIDONE DERIVATIVES AS PROSTANOID AGONISTS HOFFMANN LA ROCHE (CH) 2007-07-11 EP disclosed
US-6849657-B2 2-pyrrolidone derivatives as prostanoid agonists SYNTEX (U.S.A.) LLC (US) 2005-02-01 US disclosed
US-20030064964-A1 2-pyrrolidone derivatives as prostanoid agonists ONO PHARMACEUTICAL CO., LTD. (JP) 2003-04-03 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-20030064964-A1 2-pyrrolidone derivatives as prostanoid agonists PTGER1, PTGER4, PTGIR KMT2A 1519/4885ABL1 2662/4885RIN1 931/4885

“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.