SCHEMBL4300640

SCHEMBL4300640

CCOC(=O)[C@H](C(=O)O)C(C[N+](=O)[O-])c1c(OC)cccc1OC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 3/20 0.39
JAK2 O60674 2/20 0.39
HSP90AA1 P07900 1/20 0.39
RAB9A P51151 1/20 0.39
CPA1 P15085 3/20 0.38
CNR1 P21554 1/20 0.38
MAPT P10636 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 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
SCHEMBL4300636 1.00 ALDH1A1 (0.46) ALDH1A1CYP2C19LMNANPSR1JAK2
SCHEMBL18106489 0.88 ALDH1A1 (0.46) ALDH1A1CYP2C19LMNANPSR1JAK2
SCHEMBL29896531 0.81 ALDH1A1 (0.52) ALDH1A1CYP2C19LMNANPSR1JAK2
SCHEMBL4298901 0.81 CPA1 (0.46) ALDH1A1CYP2C19LMNACPA1SMN1; SMN2
SCHEMBL4298905 0.81 CPA1 (0.46) ALDH1A1CYP2C19LMNACPA1SMN1; SMN2
SCHEMBL6226912 0.81 ALDH1A1 (0.49) ALDH1A1CYP2C19LMNACPA1
SCHEMBL18106777 0.80 ALDH1A1 (0.49) ALDH1A1CYP2C19LMNACNR1L3MBTL1
SCHEMBL2545170 0.80 ALDH1A1 (0.51) ALDH1A1CYP2C19LMNAMAPTSMN1; SMN2
SCHEMBL18106499 0.79 ALDH1A1 (0.50) ALDH1A1CYP2C19LMNANPSR1HSP90AA1
SCHEMBL18578806 0.79 ALDH1A1 (0.40) ALDH1A1CYP2C19LMNAHSP90AA1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1640361-B9 ASYMMETRIC UREA COMPOUNDS AND PROCESS FOR PRODUCING ASYMMETRIC COMPOUNDS BY ASYMMETRIC CONJUGATE ADDITION REACTION USING THE SAME AS CATALYST SUMITOMO CHEMICAL CO (JP) 2015-11-04 EP disclosed
EP-1640361-B1 ASYMMETRIC UREA COMPOUNDS AND PROCESS FOR PRODUCING ASYMMETRIC COMPOUNDS BY ASYMMETRIC CONJUGATE ADDITION REACTION USING THE SAME AS CATALYST SUMITOMO CHEMICAL CO (JP) 2015-05-27 EP disclosed
US-7632970-B2 Asymmetric urea compound and process for producing asymmetric compound by asymmetric conjugate addition reaction with the same as catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-12-15 US disclosed
US-20060161006-A1 Asymmetric urea compound and process for producing asymmetric compound by asymmetric conjugate addition reaction with the same as catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-07-20 US disclosed
EP-1640361-A2 ASYMMETRIC UREA COMPOUND AND PROCESS FOR PRODUCING ASYMMETRIC COMPOUND BY ASYMMETRIC CONJUGATE ADDITION REACTION WITH THE SAME AS CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-03-29 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-20060161006-A1 Asymmetric urea compound and process for producing asymmetric compound by asymmetric conjugate addition reaction with the same as catalyst RAD18, UTP18, UBE2G2 ALDH1A1 2730/4885CYP2C19 121/4885LMNA 4526/4885

“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.