SCHEMBL6708934

SCHEMBL6708934

CC(C)(CCC(C)(C)OOC(=O)c1ccccc1C(=O)c1ccccc1)OOC(=O)c1ccccc1C(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
TSHR P16473 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
AKR1C3 P42330 2/20 0.47
ELANE P08246 3/20 0.47
L3MBTL1 Q9Y468 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 2/20 0.44
F2 P00734 1/20 0.43
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PPARA Q07869 1/20 0.40
CDC25B P30305 1/20 0.39

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
SCHEMBL7907952 0.93 ALDH1A1 (0.46) ALDH1A1TSHRHSD17B10TDP1AKR1C3
SCHEMBL4612232 0.90 ELANE (0.49) ALDH1A1TSHRHSD17B10TDP1AKR1C3
SCHEMBL7905010 0.89 TSHR (0.44) ALDH1A1TSHRHSD17B10TDP1AKR1C3
SCHEMBL7905008 0.88 ALDH1A1 (0.47) ALDH1A1TSHRHSD17B10TDP1AKR1C3
SCHEMBL1815675 0.86 ALDH1A1 (0.69) ALDH1A1TSHRHSD17B10TDP1AKR1C3
SCHEMBL29388336 0.86 ALDH1A1 (0.69) ALDH1A1TSHRHSD17B10TDP1AKR1C3
SCHEMBL7921495 0.86 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10TDP1AKR1C3
SCHEMBL43962 0.85 TDP1 (0.72) ALDH1A1TSHRHSD17B10TDP1L3MBTL1
SCHEMBL6847666 0.82 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10TDP1AKR1C3
SCHEMBL9795518 0.82 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10TDP1AKR1C3

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
US-9949896-B2 Filler for dental glass ionomer cement and method for manufacturing the same GC CORPORATION (JP) 2018-04-24 US disclosed
EP-3100712-A1 FILLER FOR DENTAL GLASS IONOMER CEMENT, AND METHOD FOR MANUFACTURING SAME GC Corporation (JP) 2016-12-07 EP disclosed
US-20160324729-A1 FILLER FOR DENTAL GLASS IONOMER CEMENT AND METHOD FOR MANUFACTURING THE SAME GC CORPORATION 2016-11-10 US disclosed
US-20130101778-A1 BLOCK BODY FOR PRODUCING DENTURE BASE NATIONAL UNIVERSITY CORPORATION TOKYO MEDICAL AND DENTAL UNIVERSITY (JP) 2013-04-25 US disclosed
EP-2564807-A1 BLOCK FOR FABRICATING DENTURE BASE GC Corporation (JP) 2013-03-06 EP disclosed
US-20120296005-A1 MEDICAL RESIN COMPOSITION, MANUFACTURING PROCESS THEREFOR AND MEDICAL KIT NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2012-11-22 US disclosed
US-20040161726-A1 Crown prosthesis GC CORPORATION (JP) 2004-08-19 US disclosed
US-20040096805-A1 Prosthesis for tooth surface GC CORPORATION (JP) 2004-05-20 US disclosed
US-6660194-B1 Wax pattern, composite resin material GC CORPORATION (JP) 2003-12-09 US disclosed
US-20030091959-A1 Artificial tooth holder and preparation method of denture GC CORPORATION (JP) 2003-05-15 US disclosed
EP-1304089-A1 Artificial tooth holder and preparation method of denture GC Corporation (JP) 2003-04-23 EP disclosed
EP-0734735-B1 HARD-TISSUE REPAIR COMPOSITION BASED ON DIMETHACRYLATE MONOMERS AND SUPPLY UNIT THEREFOR KURARAY CO (JP) 2002-01-16 EP disclosed
US-5814681-A CEMENTS FOR BONES AND BONE PROSTHESIS KURARAY CO., LTD. (JP) 1998-09-29 US disclosed
EP-0734735-A1 HARD-TISSUE REPAIR COMPOSITION AND SUPPLY UNIT THEREFOR KURARAY CO., LTD. (JP) 1996-10-02 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 (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-20160324729-A1 FILLER FOR DENTAL GLASS IONOMER CEMENT AND METHOD FOR MANUFACTURING THE SAME CD44, GRIN3A, VCL ALDH1A1 977/4885TSHR 2948/4885HSD17B10 3406/4885

“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.