SCHEMBL21886582

SCHEMBL21886582

Cc1cc(=O)n(C)c(=O)n1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
PLA2G7 Q13093 1/20 0.41
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ADORA2B P29275 1/20 0.38
GAA P10253 1/20 0.37
HPD P32754 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPK1 P28482 1/20 0.34
LMNA P02545 2/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
ALOX15 P16050 1/20 0.33

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
SCHEMBL25061759 0.83 ADORA2B (0.38) ALDH1A1SMN1; SMN2PLA2G7MAPTL3MBTL1
SCHEMBL5411006 0.78 ALDH1A1 (0.56) ALDH1A1PLA2G7MAPTL3MBTL1POLB
SCHEMBL28869790 0.78 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2PLA2G7MAPTL3MBTL1
SCHEMBL91340 0.75 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2PLA2G7MAPTL3MBTL1
SCHEMBL20942675 0.75 POLB (0.46) ALDH1A1SMN1; SMN2MAPTL3MBTL1POLB
SCHEMBL6394776 0.71 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2PLA2G7MAPTL3MBTL1
SCHEMBL22108536 0.70 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPTL3MBTL1HSD17B10
SCHEMBL11869258 0.70 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2PLA2G7MAPTL3MBTL1
SCHEMBL26202930 0.70 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2MAPTADORA2BGAA
SCHEMBL24759399 0.69 ADORA2B (0.37) ALDH1A1PLA2G7MAPTL3MBTL1POLB

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-11072585-B2 Fluorinated lysyl oxidase-like 2 inhibitors and uses thereof PHARMAKEA, INC. (US) 2021-07-27 US disclosed
US-20200115341-A1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2020-04-16 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 (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-20200115341-A1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX ALDH1A1 1095/4885SMN1; SMN2 2346/4885PLA2G7 232/4885
US-11072585-B2 Fluorinated lysyl oxidase-like 2 inhibitors and uses thereof LOXL2, LOXL1, LOX ALDH1A1 1095/4885SMN1; SMN2 2346/4885PLA2G7 232/4885

“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.