SCHEMBL1614538

SCHEMBL1614538

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
FFAR3 O14843 1/20 0.33
LMNA P02545 1/20 0.33
VCAM1 P19320 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
SCHEMBL1614543 1.00 ALDH1A1 (0.39) ALDH1A1TSHRGRIK1GRIK2HSD17B10
SCHEMBL5792188 1.00 ALDH1A1 (0.39) ALDH1A1TSHRGRIK1GRIK2HSD17B10
SCHEMBL1486834 0.88 FFAR3 (0.38) ALDH1A1TSHRGRIK1GRIK2TDP1
SCHEMBL7601534 0.83 GRIK1 (0.38) ALDH1A1TSHRGRIK1GRIK2HSD17B10
SCHEMBL11650762 0.83 GRIK1 (0.38) ALDH1A1TSHRGRIK1GRIK2HSD17B10
SCHEMBL7601525 0.83 GRIK1 (0.38) ALDH1A1TSHRGRIK1GRIK2HSD17B10
SCHEMBL6552881 0.81 ALDH1A1 (0.38) ALDH1A1TSHRGRIK1GRIK2HSD17B10
SCHEMBL2362374 0.78 GRIK1 (0.36) GRIK1GRIK2FFAR3
SCHEMBL2362380 0.78 GRIK1 (0.36) GRIK1GRIK2FFAR3
SCHEMBL11600639 0.78 EP300 (0.53) HSD17B10TDP1LMNA

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-8309599-B2 Synthesis of FR901464 and analogs with antitumor activity UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-11-13 US disclosed
US-20110086909-A1 SYNTHESIS OF FR901464 AND ANALOGS WITH ANTITUMOR ACTIVITY UNIVERSITY OF PITTSBURGH-- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2011-04-14 US disclosed
US-7825267-B2 Synthesis of FR901464 and analogs with antitumor activity UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2010-11-02 US disclosed
US-20080096879-A1 SYNTHESIS OF FR901464 AND ANALOGS WITH ANTITUMOR ACTIVITY UNIVERSITY OF PITTSBURGH-- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2008-04-24 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 (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-20080096879-A1 SYNTHESIS OF FR901464 AND ANALOGS WITH ANTITUMOR ACTIVITY RBM17, SF3B1, RTCB ALDH1A1 3890/4885TSHR 1762/4885GRIK1 3546/4885
US-20110086909-A1 SYNTHESIS OF FR901464 AND ANALOGS WITH ANTITUMOR ACTIVITY RBM17, SF3B1, RTCB ALDH1A1 3890/4885TSHR 1762/4885GRIK1 3546/4885

“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.