SCHEMBL2018241

SCHEMBL2018241

C=CCn1c(C)c(C(=O)O)c2cc(O)ccc21

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.56
GFER P55789 1/20 0.54
LMNA P02545 7/20 0.52
MAPT P10636 5/20 0.51
PKM P14618 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 2/20 0.47
HSD17B10 Q99714 3/20 0.47
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.46

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
SCHEMBL27689163 0.85 LMNA (0.72) GAALMNAMAPTPKMALDH1A1
SCHEMBL28289450 0.83 KDM4E (0.68) GAAGFERLMNAMAPTPKM
SCHEMBL2014743 0.81 KDM4E (0.56) GAALMNAMAPTPKMALDH1A1
SCHEMBL291042 0.78 KDM4E (0.71) GAAGFERLMNAMAPTPKM
SCHEMBL290852 0.78 GAA (0.79) GAAGFERLMNAMAPTPKM
SCHEMBL11825251 0.77 MAPT (0.47) GAALMNAMAPTALDH1A1L3MBTL1
SCHEMBL12873725 0.75 GAA (0.68) GAAGFERLMNAMAPTPKM
SCHEMBL2978448 0.75 MAPT (0.53) GAALMNAMAPTALDH1A1L3MBTL1
SCHEMBL290291 0.74 ALDH1A1 (0.79) GAAGFERLMNAMAPTPKM
SCHEMBL291284 0.74 GAA (0.55) GAAGFERLMNAMAPTPKM

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
CN-106946761-A Indole carboxamides class compound and its application 沈阳药科大学 2017-07-14 CN disclosed
US-7960427-B2 Antivirals against Hepatitis B, HIV, and influenza viruses; e.g. ethyl 2-[(benzo[d]imidazol-2-yl)thiomethyl]-6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-1H-indole-3-carboxylate SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2011-06-14 US disclosed
US-20080249155-A1 5-Hydroxyindole-3-Carboxylate Derivatives and Uses Thereof SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2008-10-09 US disclosed
EP-1731506-A1 5-HYDROXYINDOLE-3-CARBOXYLATES DERIVATIVES AND THEIR USE Shenyang Pharmaceutical University (CN) 2006-12-13 EP 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-20080249155-A1 5-Hydroxyindole-3-Carboxylate Derivatives and Uses Thereof TPH1, HTR3C, IDO1 GAA 3566/4885GFER 3330/4885LMNA 1954/4885

“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.