SCHEMBL3225974

SCHEMBL3225974

COc1ccc2ccc(=O)n3c2c1C(=O)CC3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
ALDH1A1 P00352 7/20 0.46
HPGD P15428 4/20 0.46
GLA P06280 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 7/20 0.35
POLL Q9UGP5 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
RAB9A P51151 2/20 0.35
S1PR4 O95977 1/20 0.35
HSP90AA1 P07900 1/20 0.35
G6PD P11413 1/20 0.35
S1PR1 P21453 1/20 0.35
MAPK1 P28482 1/20 0.35
OPRK1 P41145 1/20 0.35
HTT P42858 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
MCL1 Q07820 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
SCHEMBL6979869 0.71 ALDH1A1 (0.42) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL3227846 0.69 MTNR1A (0.31) ALDH1A1MAPTMAPK1CYP19A1NQO2
SCHEMBL3232440 0.68 KDM4E (0.39) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL3224659 0.68
SCHEMBL6507759 0.66 MAPT (0.41) KDM4EALDH1A1MAPTLMNANPSR1
SCHEMBL15875350 0.66 ADRA1A (0.35) KDM4EMAPTCYP19A1NQO2
SCHEMBL5892057 0.66 KDM4E (0.49) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL13052119 0.65 ALDH1A1 (0.35) KDM4EALDH1A1HPGDMEN1USP2
SCHEMBL30309460 0.64 KDM4E (1.00) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL354881 0.64 KDM4E (1.00) KDM4EALDH1A1HPGDGLAGAA

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-20100056502-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-03-04 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-20100056502-A1 COMPOUNDS NRDC, NACA, NAA50 KDM4E 3723/4885ALDH1A1 4233/4885HPGD 1491/4885

“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.