SCHEMBL8320971

SCHEMBL8320971

COC(=O)c1cc2c(OC)ccc(C)c2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
HPGD P15428 1/20 0.59
GLA P06280 1/20 0.55
GAA P10253 1/20 0.55
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KLF5 Q13887 2/20 0.46
POLB P06746 1/20 0.44
XDH P47989 1/20 0.44
MAPT P10636 1/20 0.42
CYP1A2 P05177 1/20 0.41
ULK1 O75385 1/20 0.41
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
HSD17B10 Q99714 2/20 0.40
TP53 P04637 1/20 0.40
BRD4 O60885 1/20 0.40
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL644452 0.89 KDM4E (0.73) KDM4EHPGDGLAGAAKMT2A
SCHEMBL8319614 0.88 GAA (0.62) KDM4EHPGDGLAGAAKMT2A
SCHEMBL8318563 0.87 GLA (0.49) KDM4EHPGDGLAGAAKMT2A
SCHEMBL4407742 0.86 KDM4E (0.60) KDM4EHPGDGLAGAAKMT2A
SCHEMBL1144735 0.86 KDM4E (0.79) KDM4EHPGDGAAKMT2AMEN1
SCHEMBL8318131 0.86 GAA (0.44) KDM4EHPGDGLAGAAKMT2A
SCHEMBL8322158 0.84 GLA (0.42) KDM4EHPGDGLAGAAXDH
SCHEMBL30310515 0.84 KDM4E (0.57) KDM4EHPGDGLAGAAKMT2A
SCHEMBL8322794 0.84 KDM4E (0.57) KDM4EHPGDGLAGAAKMT2A
SCHEMBL20604977 0.84 KDM4E (0.57) KDM4EHPGDGLAGAAKMT2A

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-20080167476-A1 Process for the preparation of 2-substituted-7-Boryl indoles and compounds BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2008-07-10 US disclosed
US-5866594-A Indole-2-carboxylate derivatives and fungicidal compositions for agricultural or horticultural use containing the derivatives as active component OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1999-02-02 US disclosed
EP-0791582-A1 INDOLE-2-CARBOXYLIC ESTER DERIVATIVES AND AGRICULTURAL AND HORTICULTURAL BACTERIOCIDES CONTAINING THE SAME AS THE ACTIVE INGREDIENT OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-08-27 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-20080167476-A1 Process for the preparation of 2-substituted-7-Boryl indoles and compounds INMT, IDO2, IDO1 KDM4E 2123/4885HPGD 3395/4885GLA 3792/4885

“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.