SCHEMBL6919782

SCHEMBL6919782

C/C=C/C(O)C(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
GABRP O00591 2/20 0.31
GABRD O14764 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB1 P18505 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA2 P47869 2/20 0.31
GABRB2 P47870 2/20 0.31
GABRA4 P48169 2/20 0.31
GABRE P78334 2/20 0.31
GABRA6 Q16445 2/20 0.31
GABRG1 Q8N1C3 2/20 0.31
GABRG3 Q99928 2/20 0.31
GABRQ Q9UN88 2/20 0.31
TSHR P16473 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
SCHEMBL6919784 1.00 TP53 (0.41) TP53GABRPGABRDGABRA1GABRB1
SCHEMBL7093527 0.82 TP53 (0.35) TP53
SCHEMBL7093529 0.82 TP53 (0.35) TP53
SCHEMBL6810609 0.82 TP53 (0.35) TP53
SCHEMBL7093528 0.82 TP53 (0.35) TP53
SCHEMBL6810503 0.82 TP53 (0.35) TP53
SCHEMBL6810509 0.82 TP53 (0.35) TP53
SCHEMBL6810611 0.82 TP53 (0.35) TP53
SCHEMBL7093912 0.82 TP53 (0.35) TP53
SCHEMBL7093910 0.82 TP53 (0.35) TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040018598-A1 Bio-intermediates for use in the chemical synthesis of polyketides SANTI DANIEL (US) 2004-01-29 US disclosed
EP-1307579-A2 BIO-INTERMEDIATES FOR USE IN THE CHEMICAL SYNTHESIS OF POLYKETIDES Kosan Biosciences, Inc. (US) 2003-05-07 EP disclosed
US-20020052028-A1 Bio-intermediates for use in the chemical synthesis of polyketides KOSAN BIOSCIENCES, INC. 2002-05-02 US disclosed
WO-2002012534-A2 BIO-INTERMEDIATES FOR USE IN THE CHEMICAL SYNTHESIS OF POLYKETIDES KOSAN BIOSCIENCES, INC. (US) 2002-02-14 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-20040018598-A1 Bio-intermediates for use in the chemical synthesis of polyketides DHPS, FDFT1, COASY TP53 4794/4885GABRP 2671/4885GABRD 856/4885

“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.