SCHEMBL29488

SCHEMBL29488

COc1c2ccccc2c(OC)c2oc(C(C)=O)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
RECQL P46063 1/20 0.50
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
PDE4A P27815 6/20 0.45
PDE4B Q07343 6/20 0.45
PDE4C Q08493 6/20 0.45
PDE4D Q08499 6/20 0.45
MAOA P21397 3/20 0.44
MAOB P27338 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
IDO1 P14902 1/20 0.43
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL18384647 0.83 PDE4A (0.47) LMNARECQLKDM4EALDH1A1SMN1; SMN2
SCHEMBL18384660 0.83 PDE4A (0.47) LMNARECQLKDM4EALDH1A1SMN1; SMN2
SCHEMBL12493926 0.83 MAPT (0.48) LMNARECQLKDM4EALDH1A1SMN1; SMN2
SCHEMBL18384637 0.82 PDE4A (0.47) LMNARECQLKDM4EALDH1A1SMN1; SMN2
SCHEMBL18384665 0.82 PDE4A (0.47) LMNARECQLKDM4EALDH1A1SMN1; SMN2
SCHEMBL18384682 0.80 LMNA (0.43) LMNARECQLKDM4EALDH1A1CA12
SCHEMBL18384689 0.80 LMNA (0.43) LMNARECQLKDM4EALDH1A1CA12
SCHEMBL17145859 0.80 PDE4A (0.40) LMNARECQLKDM4EALDH1A1MAPK1
SCHEMBL20851725 0.79 RECQL (0.49) LMNARECQLKDM4EALDH1A1PDE4A
SCHEMBL18123828 0.79 LMNA (0.39) LMNARECQLKDM4EALDH1A1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103153975-B Novel naphthoquinones for use in the treatment of disease Hangzhou Yier Biological Technology Co.,Ltd. (CN) 2016-01-20 CN disclosed
US-8871802-B2 Naphthoquinones for disease therapies ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2014-10-28 US disclosed
US-20130150437-A1 NAPHTHOQUINONES FOR DISEASE THERAPIES ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2013-06-13 US disclosed
WO-2012024818-A1 NOVEL ANPHTHOQUINONES FOR DISEASE THERAPIES ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2012-03-01 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-20130150437-A1 NAPHTHOQUINONES FOR DISEASE THERAPIES NQO1, NME2, CYP27B1 LMNA 1205/4885RECQL 50/4885KDM4E 2313/4885

“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.