SCHEMBL3742706

SCHEMBL3742706

CCOc1ccc(OCC)c(CO)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
NQO1 P15559 1/20 0.48
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
EPHX1 P07099 1/20 0.43
TSHR P16473 3/20 0.41
HTT P42858 1/20 0.41
LTA4H P09960 1/20 0.41
NPC1 O15118 2/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
PTGDR2 Q9Y5Y4 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
SCHEMBL30072284 1.00 KDM4E (0.49) KDM4ENQO1MTNR1AMTNR1BALDH1A1
SCHEMBL16950704 0.89 MTNR1A (0.56) KDM4EMTNR1AMTNR1BALDH1A1HPGD
SCHEMBL16959703 0.89 HSD17B10 (0.47) KDM4ENQO1HPGDTSHRHTT
SCHEMBL6784748 0.85 KDM4E (0.53) KDM4ENQO1ALDH1A1HPGDEPHX1
SCHEMBL16960502 0.84 ALDH1A1 (0.41) KDM4ENQO1ALDH1A1HPGDEPHX1
SCHEMBL326803 0.84 NQO1 (0.52) KDM4ENQO1MTNR1AMTNR1BALDH1A1
SCHEMBL16957460 0.83 L3MBTL1 (0.44) KDM4ENQO1ALDH1A1HPGDEPHX1
SCHEMBL16951352 0.83 MEN1 (0.44) KDM4ENQO1ALDH1A1HPGDEPHX1
SCHEMBL16961968 0.83 TACR1 (0.46) MTNR1AMTNR1B
SCHEMBL10673171 0.81 NQO1 (0.48) KDM4ENQO1MTNR1AMTNR1BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106349027-B A kind of preparation method of high-order column aromatic hydrocarbons 浙江大学 2019-03-26 CN claimed
CN-106349027-A Preparation method of high-order column aromatic hydrocarbon 浙江大学 2017-01-25 CN claimed
CN-115337913-B Catechu [9] arene, and preparation method and application thereof 浙江大学杭州国际科创中心 2024-03-22 CN disclosed
CN-115337913-A Catechu [9] arene and preparation method and application thereof 浙江大学杭州国际科创中心 2022-11-15 CN disclosed
US-11289238-B2 Compositions for the filling of high aspect ratio vertical interconnect access (VIA) holes HERAEUS PRECIOUS METALS NORTH AMERICA CONSHOHOCKEN LLC (US) 2022-03-29 US disclosed
US-20210174983-A1 COMPOSITIONS FOR THE FILLING OF HIGH ASPECT RATIO VERTICAL INTERCONNECT ACCESS (VIA) HOLES HERAEUS PRECIOUS METALS NORTH AMERICA CONSHOHOCKEN LLC 2021-06-10 US disclosed
WO-2021112933-A1 COMPOSITIONS FOR THE FILLING OF HIGH ASPECT RATIO VERTICAL INTERCONNECT ACCESS (VIA) HOLES HERAEUS PRECIOUS METALS NORTH AMERICA CONSHOHOCKEN LLC (US) 2021-06-10 WO disclosed
CN-106349027-A Preparation method of high-order column aromatic hydrocarbon 浙江大学 2017-01-25 CN disclosed
US-8273890-B2 Thiophene-imidazopyridines 4SC AG (DE) 2012-09-25 US disclosed
US-20100278833-A1 THIOPHENE-IMIDAZOPYRIDINES 4SC AG (DE) 2010-11-04 US disclosed
WO-2009003911-A1 THIOPHENE-IMIDAZOPYRIDINES 4SC AG (DE) 2009-01-08 WO disclosed
US-6476021-B1 Compounds having cGMP-PDE inhibitory effect MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-11-05 US disclosed
EP-1048666-A1 NOVEL COMPOUNDS HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 EP 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-20100278833-A1 THIOPHENE-IMIDAZOPYRIDINES PIKFYVE, PIP4K2B, PIP5K1B KDM4E 1387/4885NQO1 4132/4885MTNR1A 3245/4885

“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.