SCHEMBL10171308

SCHEMBL10171308

CCN(CC(=O)OC)CC(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
GAA P10253 4/20 0.42
MGAM O43451 2/20 0.42
SI P14410 2/20 0.42
MGAM2 Q2M2H8 2/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
OPRK1 P41145 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 5/20 0.36
TET2 Q6N021 1/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
CA14 Q9ULX7 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL707591 0.95 TSHR (0.46) TSHRGAAMGAMSIMGAM2
SCHEMBL14201128 0.91 TDP1 (0.42) TSHRGAAMGAMSIMGAM2
Acetic Acid SCHEMBL28105432 0.88 OPRK1 (0.45) TSHRGAAMGAMSIMGAM2
SCHEMBL8924929 0.86 MEN1 (0.39) TSHRGAAMGAMSIMGAM2
SCHEMBL63502 0.86 TSHR (0.53) TSHRGAAMGAMSIMGAM2
SCHEMBL22313796 0.83 MEN1 (0.36) TSHRGAAMGAMSIMGAM2
SCHEMBL10283827 0.83 L3MBTL1 (0.42) TSHRGAAMGAMSIMGAM2
SCHEMBL10170339 0.83 TSHR (0.36) TSHRGAAMGAMSIMGAM2
SCHEMBL338996 0.81 TSHR (0.48) TSHRGAAMGAMSIMGAM2
SCHEMBL15549515 0.81 TSHR (0.48) TSHRGAAMGAMSIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160022842-A1 FORMATION AND USES OF EUROPIUM WAYNE STATE UNIVERSITY (US) 2016-01-28 US disclosed
US-8895224-B2 Lithographic printing plate precursors and processes for preparing lithographic printing plates FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8449868-B2 Preparation of cationic nanoparticles and personal care compositions comprising said nanoparticles BASF SE (DE) 2013-05-28 US disclosed
US-8101325-B2 Azo compound, curable composition, color filter, and method of producing the same FUJIFILM CORPORATION (JP) 2012-01-24 US disclosed
WO-2010070126-A2 SMART CONTRAST AGENTS FOR MRI IMAGING UNIVERSITE DE ROUEN (FR) 2010-06-24 WO disclosed
US-7507858-B2 Histone deacetylase inhibitors MERCK & CO., INC. (US) 2009-03-24 US disclosed
US-20090075188-A1 AZO COMPOUND, CURABLE COMPOSITION, COLOR FILTER, AND METHOD OF PRODUCING THE SAME FUJIFILM CORPORATION (JP) 2009-03-19 US disclosed
US-20080096920-A1 Histone Deacetylase Inhibitors MERCK SHARP & DOHME LLC 2008-04-24 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 (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-20080096920-A1 Histone Deacetylase Inhibitors HDAC1, HDAC5, HDAC9 TSHR 2354/4885GAA 333/4885MGAM 1462/4885
US-20090075188-A1 AZO COMPOUND, CURABLE COMPOSITION, COLOR FILTER, AND METHOD OF PRODUCING THE SAME CRY1, RB1, CRY2 TSHR 1408/4885GAA 4860/4885MGAM 4005/4885
US-20160022842-A1 FORMATION AND USES OF EUROPIUM LETM1, CECR2, MCU TSHR 1385/4885GAA 2515/4885MGAM 3167/4885

“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.