SCHEMBL930516

SCHEMBL930516

CC(C)(C)CC(C)(C)c1c[c]c(O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.57
CYP3A4 P08684 6/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HIF1A Q16665 2/20 0.41
CYP2D6 P10635 1/20 0.41
ESR1 P03372 5/20 0.37
AR P10275 2/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
PGR P06401 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
MAPT P10636 1/20 0.37
DRD1 P21728 1/20 0.37
PTGS1 P23219 1/20 0.37
PDE4A P27815 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL3281904 0.82 NPC1 (0.38) SHBGCYP3A4SMN1; SMN2ESR1AR
SCHEMBL10474669 0.78 SHBG (0.48) SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6
SCHEMBL225079 0.78 SHBG (0.48) SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6
SCHEMBL1639237 0.77 LMNA (0.48) CYP3A4SMN1; SMN2CYP2D6ESR1AR
SCHEMBL930517 0.75 CNR2 (0.47)
SCHEMBL31282065 0.73 SHBG (1.00) SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6
SCHEMBL10141 0.73 SHBG (1.00) SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6
SCHEMBL10785821 0.71 SHBG (0.95) SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6
SCHEMBL22773183 0.71 SHBG (0.95) SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6
Hydrogen Sulfide SCHEMBL10824257 0.71 SHBG (0.95) SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107778647-A A kind of polypropylene alloy of high optical reflectance and preparation method thereof 合肥杰事杰新材料股份有限公司 2018-03-09 CN claimed
CN-107778648-A A kind of white PP alloys of high light-proofness and preparation method thereof 合肥杰事杰新材料股份有限公司 2018-03-09 CN claimed
CN-106883661-A The UV and IR barrier coating and preparation method of a kind of sponge brush application 深圳市捷源环保科技有限公司 2017-06-23 CN claimed
CN-106459555-B Composition for manufacturing an ophthalmic lens comprising a UV absorber and an anti-yellowing additive 依视路国际公司 2019-03-22 CN disclosed
CN-108623930-A A kind of polystyrene microsphere composite material and preparation method for rapid shaping 合肥杰事杰新材料股份有限公司 2018-10-09 CN disclosed
CN-105968771-B High fire-retardance high intensity highly reflective polycarbonate material and its preparation method and application 中广核俊尔新材料有限公司 2018-04-10 CN disclosed
CN-104805872-B Red mud Tailings Dam composite anti-penetrating structure 重庆交通大学 2018-01-30 CN disclosed
CN-106811150-A A kind of photovoltaic component encapsulating glued membrane of high reflection polymer microballoon filling and preparation method thereof 宁波卓胜新材料有限公司 2017-06-09 CN disclosed
US-9631048-B2 Sulfonium compounds, their preparation and use BASF SE (DE) 2017-04-25 US disclosed
CN-104818733-B Red mud dump leakage preventing structure 重庆交通大学 2017-03-15 CN disclosed
CN-106459412-A Fiber reinforced polyetherimide compositions 沙特基础工业全球技术公司 2017-02-22 CN disclosed
WO-2012113829-A1 SULFONIUM SULFATES, THEIR PREPARATION AND USE BASF SE (DE) 2012-08-30 WO disclosed
US-20110172457-A1 TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) AND NEW POLYNUCLEAR POLYPHENOL DERIVED FROM THE SAME HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2011-07-14 US disclosed
US-20110028752-A1 NOVEL BIS(FORMYLPHENYL) COMPOUND AND NOVEL POLYNUCLEAR POLYPHENOL COMPOUND DERIVED FROM THE SAME HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2011-02-03 US disclosed
US-7875743-B2 such as bis(3-formyl-4-(4-methoxycarbonylphenyl)methoxyphenyl)methane, by reacting bis(hydroxymethyl-hydroxyphenyl)alkane with hexamethylene tetramine in presence of acid and hydrolyzing, then reacting with halogenated alkoxycarbonyl hydrocarbon in presence of base HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2011-01-25 US disclosed
US-7858819-B2 Tris(formylphenyl) and novel polynuclear phenol derived therefrom HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2010-12-28 US disclosed
US-20100099908-A1 TRIS(FORMYLPHENYL) AND NEW POLYNUCLEAR POLYPHENOL DERIVED THEREFROM HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2010-04-22 US disclosed
US-20100016633-A1 such as bis(3-formyl-4-(4-methoxycarbonylphenyl)methoxyphenyl)methane, by reacting bis(hydroxymethyl-hydroxyphenyl)alkane with hexamethylene tetramine in presence of acid and hydrolyzing, then reacting with halogenated alkoxycarbonyl hydrocarbon in presence of base HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2010-01-21 US disclosed
US-4933355-A ALDOSE REDUCTASE INHIBITORS SANKYO COMPANY LIMITED (JP) 1990-06-12 US disclosed
EP-0337819-A1 Thiazole derivatives, their preparation and their use in the treatment of diabetes complications Sankyo Company Limited (JP) 1989-10-18 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 (4 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-20110028752-A1 NOVEL BIS(FORMYLPHENYL) COMPOUND AND NOVEL POLYNUCLEAR POLYPHENOL COMPOUND DERIVED FROM THE SAME PAH, PCBP1, MLLT1 SHBG 3022/4885CYP3A4 460/4885SMN1; SMN2 2621/4885
US-20110172457-A1 TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) AND NEW POLYNUCLEAR POLYPHENOL DERIVED FROM THE SAME AHR, PAH, ARNT SHBG 1452/4885CYP3A4 526/4885SMN1; SMN2 3118/4885
US-20100099908-A1 TRIS(FORMYLPHENYL) AND NEW POLYNUCLEAR POLYPHENOL DERIVED THEREFROM AS3MT, RRM2, SHROOM3 SHBG 1626/4885CYP3A4 940/4885SMN1; SMN2 2165/4885
US-20100016633-A1 such as bis(3-formyl-4-(4-methoxycarbonylphenyl)methoxyphenyl)methane, by reacting bis(hydroxymethyl-hydroxyphenyl)alkane with hexamethylene tetramine in presence of acid and hydrolyzing, then reacting with halogenated alkoxycarbonyl hydrocarbon in presence of base PAH, PGM2, HNMT SHBG 2845/4885CYP3A4 257/4885SMN1; SMN2 3339/4885

“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.