SCHEMBL5693207

SCHEMBL5693207

Cc1cc(C=O)ccc1OCC(=O)N(C)C

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.54
ESR1 P03372 2/20 0.53
KDM4E B2RXH2 4/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
LMNA P02545 2/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 3/20 0.46
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ESR2 Q92731 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
FDPS P14324 1/20 0.42

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
SCHEMBL5692345 0.84 ALDH1A1 (0.76) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL3464223 0.84 ALDH1A1 (0.72) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL13850149 0.84 ALDH1A1 (0.56) ALDH1A1ESR1KDM4EHPGDHSD17B10
SCHEMBL19398382 0.83 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2POLBMEN1
SCHEMBL349392 0.83 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2POLB
SCHEMBL2281472 0.81 ALDH1A1 (0.55) ALDH1A1KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL28590760 0.79 ALDH1A1 (0.72) ALDH1A1ESR1HPGDLMNASMN1; SMN2
SCHEMBL3721435 0.79 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL15796076 0.79 ALDH1A1 (0.57) ALDH1A1ESR1KDM4EHPGDHSD17B10
SCHEMBL14188782 0.77 POLB (0.48) ALDH1A1ESR1KDM4EHPGDHSD17B10

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
EP-3209732-B1 SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS SCRIPPS RESEARCH INST (US) 2021-08-04 EP disclosed
US-20060281789-A1 Protein kinase inhibitors KYOWA HAKKO KOGYO CO., LTD (JP) 2006-12-14 US disclosed
EP-1650194-A1 PROTEIN KINASE INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-04-26 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-20060281789-A1 Protein kinase inhibitors MAP3K20, MAP3K1, MAP3K19 ALDH1A1 2999/4885ESR1 1741/4885KDM4E 1355/4885

“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.