SCHEMBL21799191

SCHEMBL21799191

CCOC(=O)Cc1cc(-c2ccccc2)c2cc(C)ccc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.54
TDP1 Q9NUW8 4/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
MAPK1 P28482 1/20 0.54
ALDH1A1 P00352 9/20 0.49
HPGD P15428 5/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 3/20 0.48
RECQL P46063 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
POLB P06746 3/20 0.47
THRB P10828 3/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
FPR1 P21462 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL22292210 0.80 KDM4E (0.62) KDM4ETDP1L3MBTL1MAPK1ALDH1A1
SCHEMBL28565686 0.75 ALDH1A1 (0.50) KDM4ETDP1L3MBTL1MAPK1ALDH1A1
SCHEMBL28883896 0.73 KDM4E (0.54) KDM4ETDP1L3MBTL1MAPK1ALDH1A1
SCHEMBL10102706 0.73 KDM4E (0.52) KDM4ETDP1L3MBTL1MAPK1ALDH1A1
SCHEMBL28913232 0.73 ALDH1A1 (0.51) KDM4ETDP1L3MBTL1MAPK1ALDH1A1
SCHEMBL17111452 0.72 SMN1; SMN2 (0.51) KDM4ETDP1L3MBTL1MAPK1ALDH1A1
SCHEMBL17111582 0.72 KDM4E (0.51) KDM4ETDP1L3MBTL1MAPK1ALDH1A1
SCHEMBL28313467 0.72 ALDH1A1 (0.52) KDM4ETDP1L3MBTL1MAPK1ALDH1A1
SCHEMBL28958166 0.71 ALDH1A1 (0.62) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL1993219 0.71 KDM4E (0.49) KDM4ETDP1L3MBTL1MAPK1ALDH1A1

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-10730838-B2 Green preparation method for quinoline compounds DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2020-08-04 US disclosed
US-20200079737-A1 GREEN PREPARATION METHOD FOR QUINOLINE COMPOUNDS DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2020-03-12 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-20200079737-A1 GREEN PREPARATION METHOD FOR QUINOLINE COMPOUNDS NQO1, TYR, ABCG2 KDM4E 3307/4885TDP1 4628/4885L3MBTL1 4877/4885
US-10730838-B2 Green preparation method for quinoline compounds NQO1, TYR, ABCG2 KDM4E 3307/4885TDP1 4628/4885L3MBTL1 4877/4885

“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.