SCHEMBL21799200

SCHEMBL21799200

COc1ccc(-c2cc(-c3ccccc3)nc3ccc(C)cc23)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 2/20 0.74
AURKA O14965 1/20 0.74
AURKB Q96GD4 1/20 0.74
MAPT P10636 8/20 0.68
ALDH1A1 P00352 7/20 0.68
KDM4E B2RXH2 6/20 0.68
LMNA P02545 4/20 0.68
NPSR1 Q6W5P4 2/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
RECQL P46063 1/20 0.68
HPGD P15428 3/20 0.60
HSP90AA1 P07900 2/20 0.60
DHODH Q02127 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HTT P42858 1/20 0.58
THRB P10828 2/20 0.58
ACP1 P24666 2/20 0.57
HSD17B10 Q99714 1/20 0.57
TP53 P04637 1/20 0.55

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
SCHEMBL27986490 1.00 ACACA (0.74) ACACAAURKAAURKBMAPTALDH1A1
SCHEMBL14264119 0.93 ACACA (0.72) ACACAAURKAAURKBMAPTALDH1A1
SCHEMBL14264126 0.92 ACACA (0.71) ACACAAURKAAURKBMAPTALDH1A1
SCHEMBL14264120 0.91 ACACA (0.69) ACACAAURKAAURKBMAPTALDH1A1
SCHEMBL28318020 0.88 ALDH1A1 (0.80) ACACAAURKAAURKBMAPTALDH1A1
SCHEMBL27899449 0.88 ALDH1A1 (0.80) ACACAAURKAAURKBMAPTALDH1A1
SCHEMBL18698068 0.88 ALDH1A1 (0.85) ACACAAURKAAURKBMAPTALDH1A1
SCHEMBL14264121 0.87 AURKA (0.65) ACACAAURKAAURKBMAPTALDH1A1
SCHEMBL30064616 0.87 KDM4E (0.75) ACACAAURKAAURKBMAPTALDH1A1
SCHEMBL28350370 0.87 KDM4E (0.75) ACACAAURKAAURKBMAPTALDH1A1

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 3 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-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 ACACA 989/4885AURKA 952/4885AURKB 1615/4885
US-10730838-B2 Green preparation method for quinoline compounds NQO1, TYR, ABCG2 ACACA 989/4885AURKA 952/4885AURKB 1615/4885

“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.