SCHEMBL620407

SCHEMBL620407

C=C(O)COCCOCC(C)O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL10746442 0.92 HSD17B10 (0.48) HSD17B10TDP1MAPK1LMNA
SCHEMBL10341684 0.92 HSD17B10 (0.48) HSD17B10TDP1MAPK1LMNA
SCHEMBL23466902 0.90 HSD17B10 (0.47) HSD17B10TDP1MAPK1
SCHEMBL619721 0.89
SCHEMBL19762340 0.83 HSD17B10 (0.52) HSD17B10TDP1MAPK1MEN1KMT2A
SCHEMBL6555797 0.81 HSD17B10 (0.74) HSD17B10TDP1MAPK1LMNAMEN1
SCHEMBL170070 0.78 HSD17B10 (0.70) HSD17B10TDP1MAPK1LMNAMEN1
SCHEMBL10071804 0.75 MEN1 (0.37) HSD17B10MAPK1MEN1KMT2A
SCHEMBL23291323 0.75 HSD17B10 (0.58) HSD17B10TDP1MAPK1LMNAMEN1
SCHEMBL1344543 0.74 HSD17B10 (0.64) HSD17B10TDP1MAPK1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245003-A2 CONTRAST AGENTS GE Healthcare AS (NO) 2010-11-03 EP claimed
WO-2009106552-A2 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-09-03 WO claimed
EP-0173748-B1 PROCESS FOR PRODUCING SUBSTITUTED UNSATURATED SIX-MEMBERED RING COMPOUNDS FROM PHENOL DERIVATIVES HIRAI, Hidefumi (JP) 1990-01-03 EP claimed
US-4663478-A Process for producing a para-substituted phenol derivative Hirai, Hidefuni 1987-05-05 US claimed
EP-0173748-A1 PROCESS FOR PRODUCING SUBSTITUTED UNSATURATED SIX-MEMBERED RING COMPOUNDS FROM PHENOL DERIVATIVES HIRAI, Hidefumi (JP) 1986-03-12 EP claimed
US-8535642-B2 Contrast agents GE HEALTHCARE AS (NO) 2013-09-17 US disclosed
US-20120039815-A9 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2012-02-16 US disclosed
US-20110052504-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2011-03-03 US disclosed
EP-2245003-A2 CONTRAST AGENTS GE Healthcare AS (NO) 2010-11-03 EP disclosed
WO-2010060941-A2 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2010-06-03 WO disclosed
WO-2009106552-A2 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2009-09-03 WO disclosed
EP-0173748-B1 PROCESS FOR PRODUCING SUBSTITUTED UNSATURATED SIX-MEMBERED RING COMPOUNDS FROM PHENOL DERIVATIVES HIRAI, Hidefumi (JP) 1990-01-03 EP disclosed
US-4663478-A Process for producing a para-substituted phenol derivative Hirai, Hidefuni 1987-05-05 US disclosed
EP-0173748-A1 PROCESS FOR PRODUCING SUBSTITUTED UNSATURATED SIX-MEMBERED RING COMPOUNDS FROM PHENOL DERIVATIVES HIRAI, Hidefumi (JP) 1986-03-12 EP 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-20120039815-A9 CONTRAST AGENTS C5, TXN, CBR3 HSD17B10 3339/4885TDP1 4659/4885MAPK1 1462/4885
US-20110052504-A1 CONTRAST AGENTS C5, TXN, CBR3 HSD17B10 3339/4885TDP1 4659/4885MAPK1 1462/4885

“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.