SCHEMBL28111

SCHEMBL28111

COc1c2ccccc2c(OC)c2occc12

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
KDM4E B2RXH2 3/20 0.60
MAPK1 P28482 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
CYP3A4 P08684 3/20 0.57
HPGD P15428 3/20 0.57
CYP1A1 P04798 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP1B1 Q16678 2/20 0.57
POLB P06746 1/20 0.57
ALOX15 P16050 1/20 0.51
KCNA3 P22001 9/20 0.50
CYP2D6 P10635 1/20 0.46
PDE4A P27815 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL29561 0.79 CYP3A4 (0.53) ALDH1A1KDM4EMAPK1SMN1; SMN2CYP3A4
SCHEMBL52405 0.78 ALDH1A1 (1.00) ALDH1A1KDM4EMAPK1SMN1; SMN2CYP1A2
SCHEMBL29366129 0.78 ALDH1A1 (1.00) ALDH1A1KDM4EMAPK1SMN1; SMN2CYP1A2
SCHEMBL9825588 0.77 CYP3A4 (0.46) ALDH1A1KDM4EMAPK1SMN1; SMN2CYP3A4
Iodide SCHEMBL5967814 0.75 ALDH1A1 (0.94) ALDH1A1KDM4EMAPK1SMN1; SMN2CYP1A2
Isopimpinellin SCHEMBL498907 0.73 CYP3A4 (1.00) ALDH1A1KDM4EMAPK1SMN1; SMN2CYP3A4
Isopimpinellin SCHEMBL29568822 0.73 CYP3A4 (1.00) ALDH1A1KDM4EMAPK1SMN1; SMN2CYP3A4
SCHEMBL12494527 0.72 KCNA2 (0.42) ALDH1A1KDM4ECYP3A4HPGDCYP1A1
SCHEMBL11539828 0.71 KCNA3 (0.60) ALDH1A1KDM4EMAPK1CYP3A4HPGD
SCHEMBL30096399 0.71 CYP3A4 (0.68) ALDH1A1KDM4EMAPK1SMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109206390-B Furanaphthoquinone-based sulfoximine derivative and application thereof in manufacturing STAT3 inhibitor 北京大学 2021-04-27 CN disclosed
CN-109206390-A Sulphoxide imine derivative based on furans naphthoquinones and its purposes in manufacture STAT3 inhibitor 北京大学 2019-01-15 CN disclosed
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-9150530-B2 Esters of 4, 9-dihydroxy-naphtho [2, 3-b] furans for disease therapies ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2015-10-06 US disclosed
US-8871802-B2 Naphthoquinones for disease therapies ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2014-10-28 US disclosed
EP-2681203-A1 NOVEL ESTERS OF 4,9-DIHYDROXY-NAPHTHO[2,3-b]FURANS FOR DISEASE THERAPIES Zhoushan Haizhongzhou Xinsheng Pharmaceuticals Co., Ltd. (CN) 2014-01-08 EP disclosed
US-20130345176-A1 NOVEL ESTERS OF 4, 9-DIHYDROXY-NAPHTHO [2, 3-b] FURANS FOR DISEASE THERAPIES ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2013-12-26 US disclosed
CN-103402993-A Novel esters of 4, 9-dihydroxy-naphtho [2,3-b ] furans for the treatment of diseases ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO LTD 2013-11-20 CN disclosed
US-20130150437-A1 NAPHTHOQUINONES FOR DISEASE THERAPIES ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2013-06-13 US disclosed
CN-103153975-A Novel naphthoquinones for use in the treatment of disease ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO LTD 2013-06-12 CN disclosed
WO-2012119265-A1 NOVEL ESTERS OF 4,9-DIHYDROXY-NAPHTHO[2,3-b]FURANS FOR DISEASE THERAPIES ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2012-09-13 WO 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 (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-20130345176-A1 NOVEL ESTERS OF 4, 9-DIHYDROXY-NAPHTHO [2, 3-b] FURANS FOR DISEASE THERAPIES CYP46A1, HSD3B2, HSD3B1 ALDH1A1 114/4885KDM4E 649/4885MAPK1 4263/4885
US-20130150437-A1 NAPHTHOQUINONES FOR DISEASE THERAPIES NQO1, NME2, CYP27B1 ALDH1A1 282/4885KDM4E 2313/4885MAPK1 2378/4885

“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.