SCHEMBL9940199

SCHEMBL9940199

CCCOCCC(=O)CC

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 1/20 0.36
CES2 O00748 4/20 0.33
CES1 P23141 2/20 0.33
NAAA Q02083 1/20 0.32
DGKA P23743 1/20 0.32
TSHR P16473 2/20 0.32
FFAR3 O14843 3/20 0.32
HDAC3 O15379 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
EPHX2 P34913 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
IAPP P10997 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
SCHEMBL16298785 0.98 TDP1 (0.41) TDP1ALDH1A1HSD17B10CES2CES1
SCHEMBL7693105 0.92 TDP1 (0.50) TDP1ALDH1A1CES2CES1NAAA
SCHEMBL20848180 0.90 TDP1 (0.47) TDP1ALDH1A1HSD17B10CES2CES1
SCHEMBL27506951 0.90 HSD17B10 (0.39) TDP1ALDH1A1HSD17B10CES2CES1
SCHEMBL28334432 0.87 TDP1 (0.59) TDP1ALDH1A1HSD17B10CES2NAAA
SCHEMBL16968094 0.86 TSHR (0.39) TDP1ALDH1A1HSD17B10CES2NAAA
Hydrochloric Acid SCHEMBL28339331 0.84 TSHR (0.48) TDP1ALDH1A1CES2CES1NAAA
SCHEMBL13883578 0.84 KMT2A (0.39) TDP1ALDH1A1CES2NAAADGKA
SCHEMBL15119310 0.83 ALDH1A1 (0.41) TDP1ALDH1A1CES2TSHR
SCHEMBL19396416 0.83 TSHR (0.48) TDP1ALDH1A1TSHREPHX2

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-20140371258-A1 Water-Soluble Polymer Conjugates of Topotecan NEKTAR THERAPEUTICS (US) 2014-12-18 US disclosed
EP-2651875-A1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS Sika Technology AG (CH) 2013-10-23 EP disclosed
WO-2012080264-A1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS SIKA TECHNOLOGY AG (CH) 2012-06-21 WO disclosed
US-20120046223-A1 EXOGENOUSLY TRIGGERED CONTROLLED RELEASE MATERIALS AND USES THEREOF SMARTCELLS, INC. 2012-02-23 US disclosed
US-20110281791-A1 CRYSTALLINE INSULIN-CONJUGATES SMARTCELLS, INC. 2011-11-17 US disclosed
US-20110275560-A1 SYNTHETIC CONJUGATES AND USES THEREOF SMARTCELLS, INC. 2011-11-10 US disclosed
CN-1919942-A Curable composition, ink composition, inkjet recording method FUJI PHOTO FILM CO LTD (JP) 2007-02-28 CN 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-20110275560-A1 SYNTHETIC CONJUGATES AND USES THEREOF SLC2A4, SLC2A8, CD44 TDP1 2864/4885ALDH1A1 2321/4885HSD17B10 3774/4885
US-20140371258-A1 Water-Soluble Polymer Conjugates of Topotecan TOP2A, TOP1, TOP2B TDP1 89/4885ALDH1A1 3300/4885HSD17B10 2655/4885
US-20110281791-A1 CRYSTALLINE INSULIN-CONJUGATES IAPP, INSR, GPR119 TDP1 3291/4885ALDH1A1 4657/4885HSD17B10 683/4885
US-20120046223-A1 EXOGENOUSLY TRIGGERED CONTROLLED RELEASE MATERIALS AND USES THEREOF CD63, NSF, MSN TDP1 2749/4885ALDH1A1 3851/4885HSD17B10 4679/4885

“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.