SCHEMBL17112876

SCHEMBL17112876

CCCCOCCC(C(=O)OCC)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 5/20 0.46
TSHR P16473 4/20 0.43
L3MBTL1 Q9Y468 6/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 3/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK1 P28482 3/20 0.41
ATM Q13315 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP3A4 P08684 1/20 0.38
POLB P06746 1/20 0.37
CES2 O00748 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
SCHEMBL19415629 0.92 MEN1 (0.58) MEN1KMT2ATDP1TSHRL3MBTL1
SCHEMBL8912177 0.91 MEN1 (0.43) MEN1KMT2ATDP1TSHRL3MBTL1
SCHEMBL10850237 0.88 L3MBTL1 (0.49) MEN1KMT2ATDP1TSHRL3MBTL1
SCHEMBL9518730 0.88 L3MBTL1 (0.49) MEN1KMT2ATDP1TSHRL3MBTL1
SCHEMBL8331526 0.84 ALDH1A1 (0.48) MEN1KMT2ATDP1TSHRL3MBTL1
SCHEMBL7486384 0.84 TDP1 (0.47) MEN1KMT2ATDP1TSHRL3MBTL1
SCHEMBL18270596 0.83 TSHR (0.42) MEN1KMT2ATDP1TSHRMAPT
SCHEMBL18270595 0.83 TSHR (0.42) MEN1KMT2ATDP1TSHRMAPT
SCHEMBL8329625 0.82 ALDH1A1 (0.44) MEN1KMT2ATDP1TSHRL3MBTL1
SCHEMBL11874453 0.82 MEN1 (0.56) MEN1KMT2ATDP1TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES GENENTECH, INC. (US) 2017-01-05 US disclosed
WO-2015142903-A2 METHOD OF CONTROLLING LACTATE PRODUCTION WITH PIPERDINE-DIONE DERIVATIVES GENENTECH, INC. (US) 2015-09-24 WO 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-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES DRD4, ADORA1, ADORA3 MEN1 1242/4885KMT2A 2068/4885TDP1 515/4885

“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.