SCHEMBL405593

SCHEMBL405593

COC(=O)CCC(C)(OC)OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.55
HSD17B10 Q99714 2/20 0.44
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 3/20 0.40
CA12 O43570 3/20 0.40
CA14 Q9ULX7 3/20 0.40
KDM4E B2RXH2 1/20 0.40
RECQL P46063 1/20 0.40
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
TET2 Q6N021 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
SLC1A1 P43005 1/20 0.32

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
SCHEMBL1367719 0.86 TSHR (0.58) TSHRHSD17B10KMT2AMEN1LMNA
SCHEMBL9145760 0.82 TSHR (0.50) TSHRHSD17B10KMT2AMEN1LMNA
SCHEMBL12602055 0.81 TSHR (0.55) TSHRHSD17B10KMT2AMEN1LMNA
SCHEMBL1285433 0.80 CYP1A2 (0.45) TSHRHSD17B10KMT2ALMNAALDH1A1
SCHEMBL28695618 0.80 TSHR (0.60) TSHRHSD17B10KMT2AMEN1LMNA
SCHEMBL889856 0.80 TSHR (0.60) TSHRHSD17B10KMT2AMEN1LMNA
SCHEMBL19859133 0.79 LMNA (0.46) TSHRHSD17B10LMNAALDH1A1MAPT
Ammonia Solution, Strong SCHEMBL3920826 0.78 TSHR (0.57) TSHRHSD17B10KMT2AMEN1LMNA
SCHEMBL4847615 0.78 ALDH1A1 (0.43) TSHRLMNAALDH1A1MGAMGAA
SCHEMBL19616629 0.78 TSHR (0.57) TSHRHSD17B10KMT2AMEN1LMNA

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140295328-A1 CHAIN TRANSFER REAGENTS IN POLYURETHANE-BASED PHOTOPOLYMER FORMULATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-02 US claimed
EP-2766903-A1 CHAIN TRANSFER REAGENTS IN POLYURETHANE-BASED PHOTOPOLYMER FORMULATIONS Bayer Intellectual Property GmbH (DE) 2014-08-20 EP claimed
CN-103875037-A Chain transfer agents in polyurethane-based photopolymer compositions BAYER IP GMBH 2014-06-18 CN claimed
WO-2013053792-A1 CHAIN TRANSFER REAGENTS IN POLYURETHANE-BASED PHOTOPOLYMER FORMULATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-04-18 WO claimed
CN-103396393-B Glycerol levulinate ketals and uses thereof AROMAGEN CORPORATION (US) 2016-03-02 CN disclosed
EP-2356113-B1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER IP GMBH (DE) 2015-01-07 EP disclosed
US-8906961-B2 Glycerol levulinate ketals and their use in the manufacture of polyurethanes, and polyurethanes formed therefrom SEGETIS, INC. (US) 2014-12-09 US disclosed
US-20140295328-A1 CHAIN TRANSFER REAGENTS IN POLYURETHANE-BASED PHOTOPOLYMER FORMULATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-02 US disclosed
EP-2766903-A1 CHAIN TRANSFER REAGENTS IN POLYURETHANE-BASED PHOTOPOLYMER FORMULATIONS Bayer Intellectual Property GmbH (DE) 2014-08-20 EP disclosed
CN-103875037-A Chain transfer agents in polyurethane-based photopolymer compositions BAYER IP GMBH 2014-06-18 CN disclosed
CN-103396393-A Glycerol levulinate ketals and use thereof AROMAGEN CORP 2013-11-20 CN disclosed
US-20130303648-A1 GLYCEROL LEVULINATE KETALS AND THEIR USE IN THE MANUFACTURE OF POLYURETHANES, AND POLYURETHANES FORMED THEREFROM GFBIOCHEMICALS LIMITED (MT) 2013-11-14 US disclosed
EP-1954140-A2 GLYCEROL LEVULINATE KETALS AND THEIR USE Aromagen Corporation (US) 2008-08-13 EP disclosed
EP-1675832-B1 HETEROCYCLYL COMPOUNDS GLAXO GROUP LTD (GB) 2008-02-20 EP disclosed
WO-2007062118-A2 GLYCEROL LEVULINATE KETALS AND THEIR USE AROMAGEN CORPORATION (US) 2007-05-31 WO disclosed
US-20070060596-A1 Heterocyclyl compounds GLAXO GROUP LIMITED (GB) 2007-03-15 US disclosed
US-20070060596-A1 Heterocyclyl compounds GLAXO GROUP LIMITED (GB) 2007-03-15 US disclosed
US-20070060596-A1 Heterocyclyl compounds GLAXO GROUP LIMITED (GB) 2007-03-15 US disclosed
EP-1675832-A1 HETEROCYCLYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-07-05 EP disclosed
WO-2005040128-A1 HETEROCYCLYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-05-06 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-20070060596-A1 Heterocyclyl compounds F9, F12, CYP2C9 TSHR 350/4885HSD17B10 3241/4885KMT2A 1134/4885

“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.