SCHEMBL3262135

SCHEMBL3262135

C=C(CCCOCC(C)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
MAPT P10636 1/20 0.35
TET2 Q6N021 4/20 0.34
TET3 O43151 1/20 0.34
TET1 Q8NFU7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
USP2 O75604 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
LPAR5 Q9H1C0 1/20 0.32
PLA2G2C Q5R387 1/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TBXAS1 P24557 1/20 0.30
SPHK1 Q9NYA1 1/20 0.30

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
SCHEMBL221599 0.87 TSHR (0.37) TET2TET3TET1CYP1A2CYP3A4
SCHEMBL1759390 0.82 TSHR (0.36) TET2TET3TET1CYP1A2CYP3A4
SCHEMBL3166404 0.81 ALOX15 (0.31) HSD17B10CYP1A2CYP3A4CYP2C19ALOX15
SCHEMBL11126565 0.80 TSHR (0.39) HSD17B10TET2TET3TET1ALDH1A1
SCHEMBL4923408 0.79
SCHEMBL17883778 0.78 CYP1A2 (0.31) CYP1A2CYP3A4CYP2C19USP2KDM4E
SCHEMBL2965589 0.77 EPHX2 (0.39) KDM4EALDH1A1TSHRMEN1KMT2A
SCHEMBL33745 0.77 THRB (0.42) TDP1KDM4EALDH1A1TSHRMEN1
SCHEMBL303098 0.76 ALDH1A1 (0.40) TET2TET3TET1KDM4EALDH1A1
SCHEMBL550946 0.76 TSHR (0.39) HSD17B10TET2TET3TET1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139474-B2 Shrinkage-reducing agent for hydraulic material and shrinkage-reducing agent composition for hydraulic material NIPPON SHOKUBAI CO., LTD. (JP) 2015-09-22 US disclosed
US-20110291053-A1 SHRINKAGE-REDUCING AGENT FOR HYDRAULIC MATERIAL AND SHRINKAGE-REDUCING AGENT COMPOSITION FOR HYDRAULIC MATERIAL NIPPON SHOKUBAI CO., LTD. (JP) 2011-12-01 US disclosed
US-7691921-B2 Cement admixture and method for producing the same NIPPON SHOKUBAI CO., LTD. (JP) 2010-04-06 US disclosed
US-7662884-B2 Cement admixture and production method thereof NIPPON SHOKUBAI CO., LTD. (JP) 2010-02-16 US disclosed
US-20060215252-A1 Display medium, display device, and display method FUJI XEROX CO., LTD. 2006-09-28 US disclosed
US-20060183820-A1 Cement admixture and method for producing the same NIPPON SHOKUBAI CO., LTD. 2006-08-17 US disclosed
US-20040260011-A1 Cement admixture and production method thereof NIPPON SHOKUBAI CO., LTD. (JP) 2004-12-23 US 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-20110291053-A1 SHRINKAGE-REDUCING AGENT FOR HYDRAULIC MATERIAL AND SHRINKAGE-REDUCING AGENT COMPOSITION FOR HYDRAULIC MATERIAL ADH1A, AQP1, ADH1C HSD17B10 1983/4885MAPT 3037/4885TET2 2677/4885

“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.