SCHEMBL20799489

SCHEMBL20799489

CC(C)OC(=O)c1cnc2cc3c(cc2c1)OCO3

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
HPGD P15428 4/20 0.53
LMNA P02545 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
KMT2A Q03164 2/20 0.51
ATM Q13315 2/20 0.51
MAPT P10636 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
PPARG P37231 1/20 0.47
NCOA2 Q15596 1/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
KDM4E B2RXH2 3/20 0.45
GAA P10253 1/20 0.45
MEN1 O00255 1/20 0.42

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
SCHEMBL20799494 0.87 L3MBTL1 (0.47) ALDH1A1HPGDLMNASMN1; SMN2L3MBTL1
SCHEMBL20799483 0.85 ALDH1A1 (0.50) ALDH1A1HPGDLMNASMN1; SMN2L3MBTL1
SCHEMBL17384693 0.81 LMNA (0.52) ALDH1A1HPGDLMNASMN1; SMN2L3MBTL1
SCHEMBL5553780 0.78 MGAM (0.51) ALDH1A1HPGDLMNASMN1; SMN2L3MBTL1
SCHEMBL20799492 0.77 MAOB (0.47) ALDH1A1HPGDLMNASMN1; SMN2L3MBTL1
Hydrogen Sulfide SCHEMBL28775857 0.77 MGAM (0.50) ALDH1A1HPGDLMNASMN1; SMN2L3MBTL1
SCHEMBL19020788 0.76 KDM4E (0.49) ALDH1A1HPGDLMNASMN1; SMN2L3MBTL1
SCHEMBL9944380 0.74 NPC1 (0.60) ALDH1A1HPGDLMNAL3MBTL1KMT2A
Urea SCHEMBL6016094 0.74 MGAM (0.47) ALDH1A1HPGDLMNASMN1; SMN2KMT2A
SCHEMBL27699424 0.74 HPGDS (0.46) ALDH1A1HPGDLMNASMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10227355-B2 Quinoline derivatives and preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2019-03-12 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 (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-10227355-B2 Quinoline derivatives and preparation thereof ABL1, FLT3, MAP3K7 ALDH1A1 2096/4885HPGD 1589/4885LMNA 2995/4885

“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.