SCHEMBL7759992

SCHEMBL7759992

C=CC(=O)OCCOCCCCOCC

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.70
ALDH1A1 P00352 5/20 0.70
TP53 P04637 3/20 0.70
HIF1A Q16665 3/20 0.70
HSD17B10 Q99714 1/20 0.70
CYP3A4 P08684 2/20 0.59
HPGD P15428 1/20 0.58
THRB P10828 3/20 0.57
ATM Q13315 1/20 0.38
EPHX2 P34913 1/20 0.37
HCAR2 Q8TDS4 2/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36

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
SCHEMBL2118019 0.96 TSHR (0.64) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL20312877 0.95 TSHR (0.68) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL8850905 0.94 TSHR (0.67) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL8850957 0.94 TSHR (0.67) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL8850656 0.94 TSHR (0.67) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL8850371 0.94 TSHR (0.79) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL5685352 0.94 TSHR (0.79) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL4945997 0.94 TSHR (0.79) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL11439251 0.94 TSHR (0.79) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL10390293 0.94 TSHR (0.79) TSHRALDH1A1TP53HIF1AHSD17B10

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-9295617-B2 Dental composition, method of producing and use thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-03-29 US disclosed
US-20130303655-A1 DENTAL COMPOSITION, METHOD OF PRODUCING AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-11-14 US disclosed
EP-0795580-B1 VULCANIZABLE RUBBER COMPOSITION, SEAL TO BE USED IN DYNAMIC STATE, AND MATERIAL THEREFOR NIPPON ZEON CO (JP) 2001-03-21 EP disclosed
US-5852093-A Vulcanizable rubber composition, seal used in dynamic state, and sealing material NIPPON ZEON CO., LTD. (JP) 1998-12-22 US disclosed
EP-0704480-B1 Rubber composition comprising nitrile group-containing highly saturated copolymer rubber and ethylenically saturated copolymer rubber NIPPON ZEON CO (JP) 1998-01-28 EP disclosed
US-5683819-A Composite of highly saturated nitrile rubber with fiber, and belt composed thereof NIPPON ZEON CO., LTD. (JP) 1997-11-04 US disclosed
EP-0704479-B1 Composite of highly saturated nitrile rubber with fiber, and belt composed thereof NIPPON ZEON CO (JP) 1997-09-24 EP disclosed
EP-0704459-B1 Highly saturated nitrile rubber, process for producing same, vulcanizable rubber composition, aqueous emulsion and adhesive composition NIPPON ZEON CO (JP) 1997-09-24 EP disclosed
EP-0795580-A1 VULCANIZABLE RUBBER COMPOSITION, SEAL TO BE USED IN DYNAMIC STATE, AND MATERIAL THEREFOR NIPPON ZEON CO., LTD. (JP) 1997-09-17 EP disclosed
US-5651995-A Highly saturated nitrile rubber, process for producing same, vulcanizable rubber composition, aqueous emulsion and adhesive composition NIPPON ZEON CO., LTD. (JP) 1997-07-29 US disclosed
US-5556919-A Rubber composition comprising nitrile group-containing highly saturated copolymer rubber and ethylenically saturated copolymer rubber NIPPON ZEON CO., LTD. (JP) 1996-09-17 US disclosed
EP-0704459-A1 Highly saturated nitrile rubber, process for producing same, vulcanizable rubber composition, aqueous emulsion and adhesive composition NIPPON ZEON CO., LTD. (JP) 1996-04-03 EP disclosed
EP-0704480-A1 Rubber composition comprising nitrile group-containing highly saturated copolymer rubber and ethylenically saturated copolymer rubber NIPPON ZEON CO., LTD. (JP) 1996-04-03 EP disclosed
EP-0704479-A1 Composite of highly saturated nitrile rubber with fiber, and belt composed thereof NIPPON ZEON CO., LTD. (JP) 1996-04-03 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-20130303655-A1 DENTAL COMPOSITION, METHOD OF PRODUCING AND USE THEREOF PAM, PTMS, ACR TSHR 3551/4885ALDH1A1 2692/4885TP53 1237/4885

“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.