SCHEMBL4707495

SCHEMBL4707495

CC#CC(=O)c1ccccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.54
CES1 P23141 2/20 0.54
ALDH1A1 P00352 5/20 0.52
POLB P06746 2/20 0.48
ERCC5 P28715 1/20 0.46
FEN1 P39748 1/20 0.46
HPGD P15428 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 3/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL28100608 0.79 CES2 (0.48) CES2CES1ALDH1A1POLBERCC5
SCHEMBL4705812 0.78 CES2 (0.47) CES2CES1ALDH1A1POLBERCC5
SCHEMBL8626408 0.78 POLB (0.47) CES2CES1ALDH1A1POLBERCC5
SCHEMBL8653177 0.77 ALDH1A1 (0.53) CES2CES1ALDH1A1POLBERCC5
SCHEMBL4806049 0.77 CES2 (0.60) CES2CES1ALDH1A1POLBERCC5
SCHEMBL30725459 0.77 CES2 (0.60) CES2CES1ALDH1A1POLBERCC5
Methyl Alcohol SCHEMBL28939417 0.76 CES2 (0.54) CES2CES1ALDH1A1POLBERCC5
SCHEMBL26978962 0.76 ALDH1A1 (0.45) ALDH1A1HPGDRAB9AKMT2AMEN1
SCHEMBL8975156 0.76 CES2 (0.54) CES2CES1ALDH1A1ERCC5FEN1
SCHEMBL11033388 0.76 CES2 (0.48) CES2CES1ALDH1A1POLBERCC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11058676-B2 Quinolinone lysyl oxidase-like 2 inhibitors and uses thereof PHARMAKEA, INC. (US) 2021-07-13 US disclosed
US-10588900-B2 Quinolinone lysyl oxidase-like 2 inhibitors and uses thereof PHARMAKEA, INC. (US) 2020-03-17 US disclosed
US-20190046520-A1 QUINOLINONE LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2019-02-14 US disclosed
EP-1501809-B1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-01-16 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 (3 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-11058676-B2 Quinolinone lysyl oxidase-like 2 inhibitors and uses thereof LOXL2, LOXL1, LOX CES2 107/4885CES1 194/4885ALDH1A1 831/4885
US-20190046520-A1 QUINOLINONE LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX CES2 107/4885CES1 194/4885ALDH1A1 831/4885
US-10588900-B2 Quinolinone lysyl oxidase-like 2 inhibitors and uses thereof LOXL2, LOXL1, LOX CES2 107/4885CES1 194/4885ALDH1A1 831/4885

“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.