SCHEMBL820967

SCHEMBL820967

CCOC(=O)C1C=CC(C(=O)OCC)C(C(=O)OCC)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.37
CA2 P00918 9/20 0.37
CA9 Q16790 7/20 0.37
CA12 O43570 6/20 0.37
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL820100 0.84 ALDH1A1 (0.42) ALDH1A1LMNAKDM4EHPGD
SCHEMBL8461792 0.83 CA1 (0.37) CA1CA2CA9CA12ALDH1A1
SCHEMBL818820 0.77 CYP3A4 (0.47) CA2ALDH1A1HSD17B10LMNA
SCHEMBL24471528 0.77 ALDH1A1 (0.38) CA1CA2CA9CA12ALDH1A1
SCHEMBL6836214 0.77 PPM1B (0.42) ALDH1A1HSD17B10LMNAMAPTKDM4E
SCHEMBL6821920 0.77 PPM1B (0.42) ALDH1A1HSD17B10LMNAMAPTKDM4E
SCHEMBL17066781 0.75 ALDH1A1 (0.37) ALDH1A1HSD17B10LMNAMAPTKDM4E
SCHEMBL7234184 0.75 ALDH1A1 (0.37) ALDH1A1HSD17B10LMNAMAPTKDM4E
SCHEMBL7234598 0.75 ALDH1A1 (0.37) ALDH1A1HSD17B10LMNAMAPTKDM4E
SCHEMBL1169711 0.75 MEN1 (0.36) CA1CA2CA9CA12ALDH1A1

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-8367858-B2 Terephthalic and trimellitic based acids and carboxylate derivatives thereof Amyris, Inc. (US) 2013-02-05 US disclosed
US-20110288311-A1 NOVEL TEREPHTHALIC AND TRIMELLITIC BASED ACIDS AND CARBOXYLATE DERIVATIVES THEREOF DRATHS CORPORATION (US) 2011-11-24 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 (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-20110288311-A1 NOVEL TEREPHTHALIC AND TRIMELLITIC BASED ACIDS AND CARBOXYLATE DERIVATIVES THEREOF TRIM4, DDT, PICALM CA1 1139/4885CA2 1736/4885CA9 2178/4885

“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.