SCHEMBL16400554

SCHEMBL16400554

CC(C)(C)c1ccc(-c2coc3cc(O)ccc3c2=O)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.76
ALDH1A1 P00352 6/20 0.76
HSD17B10 Q99714 6/20 0.76
SMN1; SMN2 Q16637 5/20 0.76
NPC1 O15118 5/20 0.76
RAB9A P51151 5/20 0.76
HPGD P15428 5/20 0.76
MAOA P21397 5/20 0.76
MAOB P27338 5/20 0.76
MAPT P10636 4/20 0.76
ALDH2 P05091 4/20 0.76
TP53 P04637 3/20 0.76
CYP3A4 P08684 3/20 0.76
CYP2D6 P10635 2/20 0.76
CYP2C9 P11712 2/20 0.76
CYP2C19 P33261 2/20 0.76
HDAC6 Q9UBN7 2/20 0.76
CA12 O43570 1/20 0.76
AKR1B10 O60218 1/20 0.76
LMNA P02545 1/20 0.76

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
SCHEMBL12238027 0.90 KDM4E (0.72) KDM4EALDH1A1HSD17B10SMN1; SMN2NPC1
SCHEMBL809995 0.89 NPC1 (0.57) KDM4EALDH1A1HSD17B10SMN1; SMN2NPC1
Daidzein SCHEMBL21114371 0.87 KDM4E (1.00) KDM4EALDH1A1HSD17B10SMN1; SMN2NPC1
Daidzein SCHEMBL29374778 0.87 KDM4E (1.00) KDM4EALDH1A1HSD17B10SMN1; SMN2NPC1
Daidzein SCHEMBL19814 0.87 KDM4E (1.00) KDM4EALDH1A1HSD17B10SMN1; SMN2NPC1
SCHEMBL12289032 0.86 KDM4E (0.76) KDM4EALDH1A1HSD17B10SMN1; SMN2NPC1
SCHEMBL2349506 0.85 KDM4E (0.83) KDM4EALDH1A1HSD17B10SMN1; SMN2NPC1
Daidzein SCHEMBL19410270 0.83 KDM4E (0.86) KDM4EALDH1A1HSD17B10SMN1; SMN2NPC1
SCHEMBL4683689 0.82 KDM4E (1.00) KDM4EALDH1A1HSD17B10SMN1; SMN2NPC1
SCHEMBL2549643 0.82 KDM4E (0.83) KDM4EALDH1A1HSD17B10SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3021843-A2 ANTI-VIRAL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF Kineta, Inc. (US) 2016-05-25 EP disclosed
WO-2016073947-A1 ANTI-VIRAL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF Kineta, Inc. (US) 2016-05-12 WO disclosed
WO-2016073947-A1 ANTI-VIRAL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF Kineta, Inc. (US) 2016-05-12 WO disclosed
US-20160122312-A1 ANTI-VIRAL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF Kineta, Inc. 2016-05-05 US disclosed
US-20160122312-A1 ANTI-VIRAL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF Kineta, Inc. 2016-05-05 US disclosed
US-20160122312-A1 ANTI-VIRAL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF Kineta, Inc. 2016-05-05 US disclosed
WO-2015009812-A2 ANTI-VIRAL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF Kineta, Inc. (US) 2015-01-22 WO disclosed
WO-2015009812-A2 ANTI-VIRAL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF Kineta, Inc. (US) 2015-01-22 WO 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-20160122312-A1 ANTI-VIRAL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF MAVS, EIF2AK2, IRF3 KDM4E 2241/4885ALDH1A1 3052/4885HSD17B10 2301/4885

“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.