SCHEMBL919347

SCHEMBL919347

CCCCCCCCCCCCCCCCCCOC(=O)C(C)=O

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.70
NAAA Q02083 1/20 0.59
EPHX1 P07099 1/20 0.55
RAD52 P43351 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ALDH1A1 P00352 2/20 0.54
CES2 O00748 1/20 0.52
HCAR2 Q8TDS4 1/20 0.50
FAAH O00519 1/20 0.48
LMNA P02545 1/20 0.48
ACHE P22303 6/20 0.48
DGKA P23743 1/20 0.48

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
SCHEMBL9345377 1.00 TSHR (0.70) TSHRNAAAEPHX1RAD52NPSR1
SCHEMBL22647718 1.00 TSHR (0.70) TSHRNAAAEPHX1RAD52NPSR1
SCHEMBL3018392 1.00 TSHR (0.70) TSHRNAAAEPHX1RAD52NPSR1
SCHEMBL1603802 1.00 TSHR (0.70) TSHRNAAAEPHX1RAD52NPSR1
SCHEMBL22647791 1.00 TSHR (0.70) TSHRNAAAEPHX1RAD52NPSR1
SCHEMBL22607980 1.00 TSHR (0.70) TSHRNAAAEPHX1RAD52NPSR1
SCHEMBL521587 1.00 TSHR (0.70) TSHRNAAAEPHX1RAD52NPSR1
SCHEMBL6562247 1.00 TSHR (0.70) TSHRNAAAEPHX1RAD52NPSR1
SCHEMBL22647724 1.00 TSHR (0.70) TSHRNAAAEPHX1RAD52NPSR1
SCHEMBL27640559 0.98 TSHR (0.68) TSHRNAAAEPHX1RAD52NPSR1

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
CN-101883773-B Polyketal compounds, synthesis, and applications SEGETIS INC 2014-05-21 CN disclosed
US-8546519-B2 Polyketal compounds, synthesis, and applications SEGETIS, INC. (US) 2013-10-01 US disclosed
US-20110021658-A1 Polyketal Compounds, Synthesis, and Applications SEGETIS, INC. (US) 2011-01-27 US disclosed
CN-101883773-A Polyketal compounds, synthesis, and applications SEGETIS INC 2010-11-10 CN disclosed
EP-2205606-A2 POLYKETAL COMPOUNDS, SYNTHESIS, AND APPLICATIONS Segetis, Inc. (US) 2010-07-14 EP disclosed
WO-2009049041-A2 POLYKETAL COMPOUNDS, SYNTHESIS, AND APPLICATIONS SEGETIS, INC. (US) 2009-04-16 WO disclosed
US-7230062-B2 Acrylic copolymer KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2007-06-12 US disclosed
US-20050182224-A1 Acrylic copolymer KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2005-08-18 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 (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-20110021658-A1 Polyketal Compounds, Synthesis, and Applications TKT, KYAT1, KHK TSHR 3422/4885NAAA 530/4885EPHX1 2036/4885

“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.