SCHEMBL21656598

SCHEMBL21656598

CCOc1ccccc1C(CN)CC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
HCRTR1 O43613 2/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.35
MCL1 Q07820 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GABBR2 O75899 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35

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
SCHEMBL21656592 0.89 POLB (0.50) L3MBTL1POLBHTTNPSR1GAA
SCHEMBL21656317 0.85 KCNK3 (0.38) L3MBTL1POLBHTTNPSR1ALDH1A1
SCHEMBL21656204 0.82 GABBR2 (0.37) L3MBTL1POLBHTTNPSR1ALDH1A1
SCHEMBL21656316 0.81 NISCH (0.41) KMT2ALMNAGABBR2GABBR1
Hydrochloric Acid SCHEMBL21631970 0.81 GABBR2 (0.53) L3MBTL1GLAPOLBHTTNPSR1
SCHEMBL21656116 0.79 POLB (0.40) POLBALDH1A1KDM4EKMT2ALMNA
SCHEMBL21656178 0.78 L3MBTL1 (0.39) L3MBTL1GLAPOLBHTTNPSR1
SCHEMBL11078299 0.78 ALDH1A1 (0.53) L3MBTL1GLAPOLBNPSR1ALDH1A1
Hydrochloric Acid SCHEMBL21708730 0.77 CTDSP1 (0.36) L3MBTL1GLAPOLBHTTNPSR1
SCHEMBL21656122 0.76 L3MBTL1 (0.45) L3MBTL1POLBHTTNPSR1KDM4E

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-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-10-05 US disclosed
US-20200031775-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-01-30 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-20200031775-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF AADAC, NAT1, EPX L3MBTL1 3686/4885GLA 839/4885POLB 3807/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX L3MBTL1 3686/4885GLA 839/4885POLB 3807/4885

“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.