SCHEMBL18044652

SCHEMBL18044652

CC(C)(C)COC(=O)c1cc(C(=O)O)cn(-c2ccccc2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 5/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.41
MAPK1 P28482 3/20 0.40
HPGD P15428 2/20 0.39
HSD17B10 Q99714 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
TP53 P04637 2/20 0.36
HIF1A Q16665 1/20 0.36
GAA P10253 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
GLA P06280 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36

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
SCHEMBL19665924 0.80 KDM4E (0.38) ALDH1A1KDM4ELMNAMAPTMAPK1
SCHEMBL679127 0.73 MAPT (0.61) ALDH1A1KDM4ELMNAMAPTHPGD
SCHEMBL19511908 0.73 ALDH1A1 (0.60) ALDH1A1KDM4ELMNAMAPTMAPK1
SCHEMBL19511938 0.72 KDM4E (0.54) ALDH1A1KDM4ELMNAMAPTMAPK1
SCHEMBL19511981 0.71 ALDH1A1 (0.52) ALDH1A1KDM4ELMNAMAPTHPGD
SCHEMBL7633775 0.71 ALDH1A1 (0.59) ALDH1A1LMNAMAPK1HSD17B10L3MBTL1
Benzoic Acid SCHEMBL2239809 0.71 MAPK1 (0.65) ALDH1A1LMNAMAPTMAPK1HSD17B10
SCHEMBL204881 0.70 TSHR (0.61) ALDH1A1LMNAMAPK1HSD17B10GABRA2
SCHEMBL444012 0.69 MAPK1 (0.71) ALDH1A1KDM4ELMNAMAPTMAPK1
Ethylene Glycol SCHEMBL5687568 0.69 KDM4E (0.40) ALDH1A1KDM4ELMNAMAPK1HSD17B10

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
EP-3067356-B1 PYRROLO PYRIMIDINE DERIVATIVE ONO PHARMACEUTICAL CO (JP) 2018-07-04 EP disclosed
US-9586967-B2 Pyrrolo pyrimidine derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2017-03-07 US disclosed
US-20160264579-A1 PYRROLO PYRIMIDINE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2016-09-15 US disclosed
EP-3067356-A1 PYRROLO PYRIMIDINE DERIVATIVE ONO Pharmaceutical Co., Ltd. (JP) 2016-09-14 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-20160264579-A1 PYRROLO PYRIMIDINE DERIVATIVE AXL, FLT3, TYRO3 ALDH1A1 3360/4885KDM4E 1727/4885LMNA 4569/4885

“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.