SCHEMBL9945672

SCHEMBL9945672

CC(C)CCOCCOCCOCCOCCO

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
TSHR P16473 3/20 0.53
MAPK1 P28482 2/20 0.53
THRB P10828 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 4/20 0.43
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
Triethylene Glycol SCHEMBL27953663 1.00 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL1006208 1.00 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL104224 1.00 MEN1 (0.58) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL104005 0.97
SCHEMBL28217463 0.95 TSHR (0.53) MEN1KMT2ATSHRMAPK1THRB
Diethylene Glycol Monoethyl Ether SCHEMBL28308816 0.91 ALDH1A1 (0.61) MEN1KMT2ATSHRMAPK1THRB
Ethylene Glycol SCHEMBL130769 0.89 TSHR (0.42) MEN1KMT2ATSHRMAPK1THRB
Sulfuric Acid SCHEMBL4927147 0.89 MEN1 (0.46) MEN1KMT2ATSHRMAPK1THRB
Sulfuric Acid SCHEMBL4925093 0.89 MEN1 (0.46) MEN1KMT2ATSHRMAPK1THRB
Sulfuric Acid SCHEMBL4927578 0.89 MEN1 (0.46) MEN1KMT2ATSHRMAPK1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106793781-B Compositions and methods for controlling fungal and bacterial diseases in plants 拜耳作物科学有限合伙公司 2020-07-28 CN disclosed
US-8562966-B2 End-modified poly(beta-amino esters) and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-10-22 US disclosed
US-20120149630-A1 END-MODIFIED POLY(BETA-AMINO ESTERS) AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-06-14 US disclosed
US-20120149630-A1 END-MODIFIED POLY(BETA-AMINO ESTERS) AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-06-14 US disclosed
US-20080242626-A1 End-Modified Poly(beta-amino esters) and Uses Thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-10-02 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 (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-20120149630-A1 END-MODIFIED POLY(BETA-AMINO ESTERS) AND USES THEREOF PARN, PARG, POLL MEN1 2403/4885KMT2A 1064/4885TSHR 4517/4885
US-20080242626-A1 End-Modified Poly(beta-amino esters) and Uses Thereof PARN, PARG, POLL MEN1 2403/4885KMT2A 1064/4885TSHR 4517/4885

“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.