SCHEMBL2779839

SCHEMBL2779839

O=C(O)c1[c]c(C(=O)O)c(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
TP53 P04637 1/20 0.33
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
KDM4E B2RXH2 2/20 0.32
AKR1C3 P42330 2/20 0.32
KMT2A Q03164 1/20 0.32
AKR1C4 P17516 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 2/20 0.31
ASPH Q12797 1/20 0.31
KDM8 Q8N371 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
CDC25A P30304 1/20 0.31
CDC25B P30305 1/20 0.31

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
SCHEMBL10463698 0.77 KDM4E (0.42) ALDH1A1TP53KDM4EKMT2AHSD17B10
SCHEMBL2779477 0.71 CYP1A2 (0.44) ALDH1A1TP53CA1CA2KDM4E
Benzenepentacarboxylic Acid SCHEMBL432193 0.68 ALDH1A1 (0.43) ALDH1A1TP53CA1CA2KDM4E
Mellitic Acid SCHEMBL11153446 0.68 ALDH1A1 (0.43) ALDH1A1TP53CA1CA2KDM4E
SCHEMBL31955559 0.67 AKR1C4 (0.58) ALDH1A1TP53CA1CA2KDM4E
SCHEMBL25413731 0.66 ALDH1A1 (0.41) ALDH1A1TP53CA1CA2KDM4E
Benzenepentacarboxylic Acid SCHEMBL27910397 0.66 ALDH1A1 (0.48) ALDH1A1CA1CA2KDM4EAKR1C3
Benzenepentacarboxylic Acid SCHEMBL9181397 0.66 ALDH1A1 (0.41) ALDH1A1TP53CA1CA2KDM4E
SCHEMBL2779285 0.65 ALDH1A1 (0.37) ALDH1A1CA1CA2KDM4EAKR1C3
Mellitic Acid SCHEMBL4394065 0.65 ALDH1A1 (0.45) ALDH1A1TP53CA1CA2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975259-B2 Compositions and methods for inhibiting G protein signaling UNIVERSITY OF ROCHESTER (US) 2015-03-10 US claimed
US-20100130505-A1 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING UNIVERSITY OF ROCHESTER (US) 2010-05-27 US claimed
EP-2147310-A2 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING University of Rochester (US) 2010-01-27 EP claimed
WO-2009020677-A9 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING UNIV ROCHESTER (US) 2009-04-16 WO claimed
WO-2009020677-A2 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING UNIVERSITY OF ROCHESTER (US) 2009-02-12 WO claimed
US-8975259-B2 Compositions and methods for inhibiting G protein signaling UNIVERSITY OF ROCHESTER (US) 2015-03-10 US disclosed
US-20100130505-A1 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING UNIVERSITY OF ROCHESTER (US) 2010-05-27 US disclosed
EP-2147310-A2 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING University of Rochester (US) 2010-01-27 EP disclosed
WO-2009020677-A9 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING UNIV ROCHESTER (US) 2009-04-16 WO disclosed
WO-2009020677-A2 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING UNIVERSITY OF ROCHESTER (US) 2009-02-12 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-20100130505-A1 COMPOSITIONS AND METHODS FOR INHIBITING G PROTEIN SIGNALING GNAI1, GNAI3, GNAI2 ALDH1A1 4720/4885TP53 4171/4885CA1 3463/4885

“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.