SCHEMBL597364

SCHEMBL597364

[CH2]C1(CC(=O)OCC)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
ALDH1A1 P00352 3/20 0.43
TRPA1 O75762 1/20 0.43
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.38
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX15 P16050 3/20 0.36
SOAT1 P35610 1/20 0.36
ELANE P08246 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 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
SCHEMBL16276877 0.76 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL597365 0.76 KMT2A (0.51) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL380983 0.76 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL4603085 0.75 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL381188 0.74 ALDH1A1 (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7848700 0.74 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
Hydrochloric Acid SCHEMBL29267183 0.74 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7515086 0.74 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8234342 0.74 GAA (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1660371 0.72 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1

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-8115014-B2 Ethynylindole compounds ONO Pharmaceuticals, Co., Ltd. (JP) 2012-02-14 US disclosed
EP-2206698-A1 Ethynylindole compounds ONO Pharmaceutical Co., Ltd. (JP) 2010-07-14 EP disclosed
US-20100160647-A1 ETHYNYLINDOLE COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2010-06-24 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-20100160647-A1 ETHYNYLINDOLE COMPOUNDS CYSLTR2, CYSLTR1, LTB4R2 GAA 4840/4885MGAM 4733/4885SI 3820/4885

“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.