SCHEMBL9794476

SCHEMBL9794476

COC(=O)C(C(=O)OC)=C(C)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
POLB P06746 4/20 0.35
GAA P10253 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
KDM4E B2RXH2 3/20 0.34
MAPT P10636 2/20 0.34
CYP2C9 P11712 1/20 0.34
DNMT1 P26358 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
TET2 Q6N021 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
TSHR P16473 2/20 0.32
KEAP1 Q14145 1/20 0.32

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
SCHEMBL3269694 0.88 ALDH1A1 (0.43) ALDH1A1POLBGAAMEN1KMT2A
SCHEMBL14282781 0.88 ALDH1A1 (0.43) ALDH1A1POLBGAAMEN1KMT2A
SCHEMBL3269692 0.88 ALDH1A1 (0.43) ALDH1A1POLBGAAMEN1KMT2A
SCHEMBL455415 0.86 ALDH1A1 (0.42) ALDH1A1POLBGAAMEN1KMT2A
SCHEMBL5515827 0.80 ALDH1A1 (0.37) ALDH1A1POLBGAAMEN1KMT2A
SCHEMBL5515832 0.80 ALDH1A1 (0.37) ALDH1A1POLBGAAMEN1KMT2A
SCHEMBL10797814 0.79 ALDH1A1 (0.50) ALDH1A1POLBGAAMEN1KMT2A
SCHEMBL1550151 0.78 ALDH1A1 (0.36) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL1550148 0.78 ALDH1A1 (0.36) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL1550149 0.78 ALDH1A1 (0.36) ALDH1A1GAAMGAMSIMGAM2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3564216-B1 PYRIMIDINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2021-10-27 EP disclosed
US-11034659-B2 Pyrimidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-06-15 US disclosed
US-20200172494-A1 PYRIMIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2020-06-04 US disclosed
EP-3564216-A1 PYRIMIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2019-11-06 EP disclosed
US-5041619-A Process for the preparation of alkoxyalkylidenemalonic acid esters HUELS AKTIENGESELLSCHAFT (DE) 1991-08-20 US disclosed
EP-0413918-A2 Method for the production of alkoxyalkylidenemalonic acid esters HÜLS AKTIENGESELLSCHAFT (DE) 1991-02-27 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 (2 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-11034659-B2 Pyrimidine derivative GPR39, CFTR, TMEM109 ALDH1A1 3457/4885POLB 4358/4885GAA 3739/4885
US-20200172494-A1 PYRIMIDINE DERIVATIVE GPR39, CFTR, TMEM109 ALDH1A1 3457/4885POLB 4358/4885GAA 3739/4885

“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.