SCHEMBL2908238

SCHEMBL2908238

COC(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.75
ALDH1A1 P00352 2/20 0.75
HPGD P15428 2/20 0.75
LMNA P02545 1/20 0.75
XDH P47989 3/20 0.52
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
POLB P06746 3/20 0.46
HSD17B10 Q99714 2/20 0.43
USP2 O75604 1/20 0.43
CYP1A2 P05177 1/20 0.42
P4HB P07237 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MAPT P10636 2/20 0.41
CYP19A1 P11511 1/20 0.41
NQO2 P16083 1/20 0.41
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 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
SCHEMBL14360690 0.88 KDM4E (0.58) KDM4EALDH1A1HPGDLMNAXDH
SCHEMBL1771123 0.86 HPGD (1.00) KDM4EALDH1A1HPGDLMNAPOLB
SCHEMBL12596874 0.86 KDM4E (0.77) KDM4EALDH1A1HPGDLMNAXDH
SCHEMBL25547757 0.86 KDM4E (0.56) KDM4EALDH1A1HPGDLMNAXDH
SCHEMBL3555723 0.84 HPGD (0.75) KDM4EALDH1A1HPGDLMNAXDH
SCHEMBL28941241 0.84 KDM4E (0.75) KDM4EALDH1A1HPGDLMNAGAA
Hydrochloric Acid SCHEMBL3555727 0.84 HPGD (0.97) KDM4EALDH1A1HPGDLMNAPOLB
SCHEMBL30503469 0.84 KDM4E (0.75) KDM4EALDH1A1HPGDLMNAGAA
SCHEMBL12848655 0.82 ALDH1A1 (0.71) KDM4EALDH1A1HPGDLMNAGAA
SCHEMBL12392288 0.82 KDM4E (0.71) KDM4EALDH1A1HPGDLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023118961-A1 ANTIBODY DRUG CONJUGATES COMPRISING TOXINS WITH POLAR GROUPS AND USES THEREOF INTOCELL, INC. (KR) 2023-06-29 WO disclosed
WO-2021260438-A1 ANTIBODY-DRUG CONJUGATES COMPRISING ANTI-B7-H3 ANTIBODIES INTOCELL, INC. (KR) 2021-12-30 WO disclosed
CN-103601670-B The similar thing of piperlongumine and its preparation method and application 中国人民解放军第二军医大学 2016-06-15 CN disclosed
CN-103601670-A Piplartine analogue, and preparation method and application thereof UNIV PLA 2ND MILITARY MEDICAL 2014-02-26 CN disclosed
WO-2012084971-A1 INDOLE DERIVATIVES AS AGENTS AGAINST GRAM-NEGATIVE AND GRAM-POSITIVE BACTERIA CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2012-06-28 WO disclosed
EP-1400510-B1 CYCLIC DIAMINE COMPOUNDS HAVING FUSED-RING GROUPS KOWA CO (JP) 2010-08-18 EP disclosed
US-7135473-B2 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2006-11-14 US disclosed
CN-1281585-C Cyclic diamine compounds having fused-ring groups KOWA CO (JP) 2006-10-25 CN disclosed
CN-1599717-A Cyclic diamine compounds having fused-ring groups KOWA CO (JP) 2005-03-23 CN disclosed
US-20040058913-A1 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2004-03-25 US disclosed
EP-1400510-A1 CYCLIC DIAMINE COMPOUNDS HAVING FUSED-RING GROUPS Kowa Co., Ltd. (JP) 2004-03-24 EP disclosed
US-6632810-B2 Such as N,N'-bis((5,6,7-trimethoxynaphthalen-2-yl)methyl) piperazine, which has inhibitory effects on cell adhesion, for treatment of allergy, asthma, rheumatism, arteriosclerosis, and inflammation KOWA CO., LTD. (JP) 2003-10-14 US disclosed
US-20030060461-A1 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2003-03-27 US disclosed
EP-1011665-A4 HETEROCYCLIC AGENTS LILLY CO ELI (US) 2001-09-12 EP disclosed
EP-1011665-A1 HETEROCYCLIC AGENTS ELI LILLY AND COMPANY (US) 2000-06-28 EP disclosed
WO-1998040068-A1 HETEROCYCLIC AGENTS ELI LILLY AND COMPANY (US) 1998-09-17 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-20040058913-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 KDM4E 2052/4885ALDH1A1 468/4885HPGD 2236/4885
US-20030060461-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 KDM4E 2052/4885ALDH1A1 468/4885HPGD 2236/4885

“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.