SCHEMBL21359902

SCHEMBL21359902

COC(=O)c1cnccc1CCCB1OC(C)(C)C(C)(C)O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 4/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
CYP46A1 Q9Y6A2 1/20 0.34
KMT2A Q03164 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TSHR P16473 2/20 0.34
HPGD P15428 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
CCNC P24863 2/20 0.33
CDK8 P49336 2/20 0.33
SIRT3 Q9NTG7 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL21358215 0.76 L3MBTL1 (0.42) ALDH1A1KDM4EL3MBTL1MAPK8MAPK9
SCHEMBL21358238 0.74 L3MBTL1 (0.33) ALDH1A1KDM4EL3MBTL1
SCHEMBL30465486 0.73 KDM4E (0.57) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL4074620 0.73 KDM4E (0.57) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL2651911 0.72 ALDH1A1 (0.42) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL3581723 0.71 CYP4F2 (0.47) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL17078728 0.70 ALDH1A1 (0.54) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL4317587 0.70 KDM4E (0.54) ALDH1A1KDM4EGLAGAALMNA
SCHEMBL22968703 0.70 EED (0.31)
SCHEMBL106859 0.69 KDM4E (0.41) ALDH1A1KDM4EGLAGAALMNA

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
US-20210040127-A1 ARGINASE INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2021-02-11 US disclosed
EP-3765006-A1 ARGINASE INHIBITORS AND METHODS OF USE Merck Sharp&Dohme Corp. (US) 2021-01-20 EP disclosed
WO-2019177873-A1 ARGINASE INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2019-09-19 WO 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-20210040127-A1 ARGINASE INHIBITORS AND METHODS OF USE ARG1, ARG2, PRMT1 ALDH1A1 383/4885KDM4E 3142/4885GLA 493/4885

“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.