SCHEMBL2053985

SCHEMBL2053985

C=CCc1cc(C(=O)O)c(CC=C)cc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
PTGDR Q13258 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
POLB P06746 2/20 0.39
GAA P10253 2/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 3/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HMGB1 P09429 1/20 0.36
CXCL12 P48061 1/20 0.36
FOLH1 Q04609 1/20 0.35
CYP3A4 P08684 1/20 0.35
DCLRE1A Q6PJP8 1/20 0.35
DCLRE1B Q9H816 1/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL22160245 0.96 GABRA1 (0.38) GABRA1GABRB2PTGDRPTGDR2POLB
SCHEMBL6535892 0.93 GABRA1 (0.39) GABRA1GABRB2PTGDRPTGDR2POLB
SCHEMBL29225947 0.91 GABRA1 (0.41) GABRA1GABRB2PTGDRPTGDR2POLB
SCHEMBL9081528 0.89 IDO1 (0.42) GABRA1GABRB2PTGDRPTGDR2POLB
SCHEMBL5175262 0.85 GAA (0.39) GABRA1GABRB2PTGDRPTGDR2POLB
SCHEMBL278481 0.84 KDM4E (0.46) GABRA1GABRB2PTGDRPTGDR2POLB
SCHEMBL28227972 0.83 IDO1 (0.49) POLBALDH1A1MAPTHSD17B10KDM4E
SCHEMBL2852455 0.82 ALDH1A1 (0.53) GABRA1GABRB2PTGDRPTGDR2POLB
SCHEMBL5175539 0.82 TSHR (0.37) GABRA1GABRB2PTGDRPTGDR2POLB
SCHEMBL1908071 0.82 ALDH1A1 (0.52) GABRA1GABRB2PTGDRPTGDR2POLB

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
US-8525131-B2 Phosphorescent organic compounds THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-09-03 US disclosed
US-20120248337-A1 PHOSPHORESCENT ORGANIC COMPOUNDS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-04 US disclosed
WO-2011066415-A2 PHOSPHORESCENT ORGANIC COMPOUNDS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-06-03 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-20120248337-A1 PHOSPHORESCENT ORGANIC COMPOUNDS PAICS, PPIP5K2, PPA1 GABRA1 3946/4885GABRB2 4313/4885PTGDR 2910/4885

“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.