SCHEMBL16865875

SCHEMBL16865875

CCOc1cc(C(N)[13CH2]C)ccc1OC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
PDE4A P27815 9/20 0.48
PDE4B Q07343 9/20 0.48
PDE4C Q08493 9/20 0.48
PDE4D Q08499 9/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPK1 P28482 1/20 0.47
LMNA P02545 1/20 0.45
HIF1A Q16665 1/20 0.44
ACHE P22303 1/20 0.43

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
SCHEMBL6423584 1.00 ALDH1A1 (0.50) ALDH1A1KDM4EGAAMAPTPDE4A
SCHEMBL16865878 1.00 ALDH1A1 (0.50) ALDH1A1KDM4EGAAMAPTPDE4A
SCHEMBL7099805 1.00 ALDH1A1 (0.50) ALDH1A1KDM4EGAAMAPTPDE4A
SCHEMBL623386 0.91 ALDH1A1 (0.48) ALDH1A1KDM4EGAAMAPTPDE4A
SCHEMBL14032377 0.89 ACHE (0.51) ALDH1A1KDM4EGAAMAPTL3MBTL1
SCHEMBL11982806 0.89 ALDH1A1 (0.47) ALDH1A1KDM4EGAAMAPTPDE4A
SCHEMBL11982739 0.89 ALDH1A1 (0.47) ALDH1A1KDM4EGAAMAPTPDE4A
SCHEMBL16865876 0.89 ALDH1A1 (0.41) ALDH1A1KDM4EGAAMAPTPDE4A
Hydrochloric Acid SCHEMBL5117534 0.87 ACHE (0.50) ALDH1A1KDM4EGAAMAPTL3MBTL1
SCHEMBL24437403 0.87 ALDH1A1 (0.46) ALDH1A1KDM4EGAAMAPTPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9434689-B2 Processes for the preparation of isoindole compounds and isotopologues thereof CELGENE CORPORATION (US) 2016-09-06 US disclosed
US-20150183739-A1 PROCESSES FOR THE PREPARATION OF ISOINDOLE COMPOUNDS AND ISOTOPOLOGUES THEREOF AMGEN INC. 2015-07-02 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-20150183739-A1 PROCESSES FOR THE PREPARATION OF ISOINDOLE COMPOUNDS AND ISOTOPOLOGUES THEREOF HPD, DHPS, IDH2 ALDH1A1 1488/4885KDM4E 2320/4885GAA 1258/4885

“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.