SCHEMBL10044830

SCHEMBL10044830

COC(=O)CCC(CC(=O)OC)CC(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.55
SLC1A1 P43005 1/20 0.44
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 3/20 0.40
CA12 O43570 2/20 0.40
CA14 Q9ULX7 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RECQL P46063 1/20 0.35

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
SCHEMBL21052354 0.89 TSHR (0.48) TSHRSLC1A1KMT2AMEN1LMNA
SCHEMBL21052370 0.87 TSHR (0.46) TSHRSLC1A1KMT2AMEN1LMNA
SCHEMBL15237382 0.86 TSHR (0.50) TSHRSLC1A1
Adipic Acid SCHEMBL6636443 0.85 TSHR (0.55) TSHRSLC1A1LMNAALDH1A1L3MBTL1
SCHEMBL15237381 0.85 TSHR (0.42) TSHRSLC1A1KMT2AMEN1LMNA
SCHEMBL3197402 0.82 TSHR (0.53) TSHRKMT2AMEN1LMNACA12
SCHEMBL6262034 0.81 TSHR (0.40) TSHRSLC1A1KMT2AMEN1LMNA
SCHEMBL9606840 0.81 TSHR (0.55) TSHRSLC1A1KMT2AMEN1LMNA
SCHEMBL13506382 0.81 TSHR (0.42) TSHRKMT2AMEN1CA12CA14
SCHEMBL5000221 0.81 TSHR (0.55) TSHRSLC1A1KMT2AMEN1LMNA

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-10758635-B2 Radiopharmaceutical compositions SERAC HEALTHCARE LIMITED (GB) 2020-09-01 US disclosed
US-20130129623-A1 RADIOPHARMACEUTICAL COMPOSITIONS GE HEALTHCARE LIMTED (GB) 2013-05-23 US disclosed
US-8124806-B2 Contrast agents GE HEALTHCARE AS (NO) 2012-02-28 US disclosed
US-8124806-B2 Contrast agents GE HEALTHCARE AS (NO) 2012-02-28 US disclosed
US-20090053142-A1 CONTRAST AGENTS WYNN DUNCAN 2009-02-26 US disclosed
US-20090053142-A1 CONTRAST AGENTS WYNN DUNCAN 2009-02-26 US disclosed
WO-2007094683-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2007-08-23 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 (3 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-20090053142-A1 CONTRAST AGENTS IPO4, TPO, IPO11 TSHR 282/4885SLC1A1 837/4885KMT2A 3770/4885
US-10758635-B2 Radiopharmaceutical compositions TYMP, KIT, CHEK1 TSHR 2061/4885SLC1A1 3662/4885KMT2A 3149/4885
US-20130129623-A1 RADIOPHARMACEUTICAL COMPOSITIONS TYMP, KIT, CHEK1 TSHR 2061/4885SLC1A1 3662/4885KMT2A 3149/4885

“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.