SCHEMBL144844

SCHEMBL144844

C=C(C)C(=O)OCC(O)COCCOCC(O)COC(=O)C(=C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
THRB P10828 1/20 0.53
ALDH1A1 P00352 4/20 0.38
HTT P42858 2/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LPAR5 Q9H1C0 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
USP2 O75604 2/20 0.32
CYP3A4 P08684 2/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL17448864 0.96 THRB (0.59) TSHRTHRBALDH1A1HTTHSD17B10
SCHEMBL15132269 0.93 TSHR (0.50) TSHRTHRBALDH1A1HTTPOLB
SCHEMBL11659781 0.93 TSHR (0.53) TSHRTHRBALDH1A1HTTHSD17B10
SCHEMBL996289 0.93 TSHR (0.53) TSHRTHRBALDH1A1HTTHSD17B10
SCHEMBL56496 0.93 TSHR (0.53) TSHRTHRBALDH1A1HTTPOLB
SCHEMBL5535254 0.92 TSHR (0.61) TSHRTHRBALDH1A1HTTPOLB
SCHEMBL347487 0.92 TSHR (0.61) TSHRTHRBALDH1A1HTTPOLB
SCHEMBL11133136 0.91 TSHR (0.52) TSHRTHRBALDH1A1HTTHSD17B10
SCHEMBL35411 0.91 TSHR (0.52) TSHRTHRBALDH1A1HTTHSD17B10
SCHEMBL15870307 0.91 TSHR (0.52) TSHRTHRBALDH1A1HTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2110392-B1 DIVIDED REDOX-CURING-TYPE COMPOSITION KURARAY NORITAKE DENTAL INC (JP) 2020-05-06 EP claimed
EP-2835128-B1 ONE-PACK DENTAL ADHESIVE KURARAY NORITAKE DENTAL INC (JP) 2020-01-08 EP claimed
US-9700491-B2 One-part dental adhesive KURARAY NORITAKE DENTAL INC. (JP) 2017-07-11 US claimed
US-20150094392-A1 ONE-PART DENTAL ADHESIVE KURARAY NORITAKE DENTAL INC. (JP) 2015-04-02 US claimed
EP-2835128-A1 ONE-PACK DENTAL ADHESIVE Kuraray Noritake Dental Inc. (JP) 2015-02-11 EP claimed
US-8895680-B2 Redox curing-type nonaqueous curable composition KURARAY NORITAKE DENTAL INC. (JP) 2014-11-25 US claimed
US-8329845-B2 Divided redox-curing type composition KURARAY NORITAKE DENTAL INC. (JP) 2012-12-11 US claimed
US-20100240798-A1 REDOX-CURING TYPE NONAQUEOUS CURABLE COMPOSITION KURARAY MEDICAL INC. (JP) 2010-09-23 US claimed
US-7799391-B2 Liquid crystal composition, color filter and liquid crystal display DAI NIPPON PRINTING CO., LTD. (JP) 2010-09-21 US claimed
US-20100087613-A1 DIVIDED REDOX-CURING TYPE COMPOSITION KURARAY MEDICAL INC. (JP) 2010-04-08 US claimed
EP-0468077-A1 Dental adhesive MITSUBISHI RAYON CO., LTD. (JP) 1992-01-29 EP claimed
EP-0413174-A2 Dental adhesive composition MITSUBISHI RAYON CO., LTD. (JP) 1991-02-20 EP claimed
US-4923905-A DIKETONE AND POLYPEROXY ESTER OF BENZOPHENONE POLYMERIZATION INITIATOR NIPPON OIL AND FATS CO., LTD. (JP) 1990-05-08 US claimed
EP-0176777-B1 LIGHT CURABLE DENTAL COMPOSITION NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-11-23 EP claimed
US-4824876-A ORGANIC PEROXIDE, PYRYLIUM SALT INIATOR NIPPON OIL AND FATS CO., LTD. (JP) 1989-04-25 US claimed
US-4746685-A METHACRYLATE COMPOUND WITH AN ORGANIC PEROXIDE AND PYRYCIUM SALT AS A LIGHT POLYMERIZATION NIPPON OIL AND FATS CO., LTD. (JP) 1988-05-24 US claimed
EP-0176777-A2 Light curable dental composition NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1986-04-09 EP claimed
US-4386912-A Method for filling tooth cavities employing a polymerizable urethane cement composition KURARAY COMPANY LIMITED (JP) 1983-06-07 US claimed
US-4347174-A Cement compositions KURARAY COMPANY, LIMITED (JP) 1982-08-31 US claimed
US-4302381-A Dental material KURARAY CO., LTD. (JP) 1981-11-24 US claimed

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-20100240798-A1 REDOX-CURING TYPE NONAQUEOUS CURABLE COMPOSITION LPO, CDH1, GPX4 TSHR 4823/4885THRB 4229/4885ALDH1A1 131/4885
US-20150094392-A1 ONE-PART DENTAL ADHESIVE ARID2, ICAM1, CAD TSHR 4323/4885THRB 1093/4885ALDH1A1 56/4885

“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.