SCHEMBL1369448

SCHEMBL1369448

C=C(C)COCCCP(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.42
LPAR3 Q9UBY5 3/20 0.39
LPAR2 Q9HBW0 1/20 0.39
BBOX1 O75936 2/20 0.38
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
NFKB1 P19838 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
BTN3A1 O00481 1/20 0.35
CES2 O00748 1/20 0.34
S1PR2 O95136 2/20 0.32
S1PR4 O95977 2/20 0.32
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 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
SCHEMBL1557385 0.88 GABBR2 (0.35) BTN3A1CES2
SCHEMBL4272527 0.88 BTN3A1 (0.37) TYMSLPAR3LPAR2BBOX1LMNA
SCHEMBL1557212 0.82 CES2 (0.37) LPAR3LPAR2BTN3A1CES2
Methacrylic Acid SCHEMBL2639348 0.79 BTN3A1 (0.33) BTN3A1
SCHEMBL1557153 0.79 BTN3A1 (0.37) BTN3A1
SCHEMBL21052534 0.79 PRSS1 (0.38) BTN3A1CES2
SCHEMBL21052530 0.79 PRSS1 (0.38) BTN3A1CES2
SCHEMBL21052531 0.79 PRSS1 (0.38) BTN3A1CES2
SCHEMBL7558654 0.78 BTN3A1 (0.46) LPAR3LPAR2CYP3A4BTN3A1CES2
SCHEMBL7552270 0.78 BTN3A1 (0.46) LPAR3LPAR2BTN3A1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2123246-B1 ADHESIVE COMPOSITION FOR DENTAL USE TOKUYAMA DENTAL CORP (JP) 2021-06-23 EP disclosed
CN-105960335-B Lithographic printing plate precursor, method for producing same, method for making lithographic printing plate, and printing method 富士胶片株式会社 2020-12-11 CN disclosed
CN-107249902-B Lithographic printing plate precursor, plate making method of lithographic printing plate, and printing method 富士胶片株式会社 2020-04-03 CN disclosed
CN-107206827-B Lithographic printing plate precursor, method for producing same, and printing method using same 富士胶片株式会社 2020-01-21 CN disclosed
EP-2305205-B1 DENTAL ADHESIVE COMPOSITION TOKUYAMA DENTAL CORP (JP) 2018-04-11 EP disclosed
US-20160354744-A1 DISPERSING AGENT, A METHOD FOR MANUFACTURING A DISPERSING AGENT, AN INK, AND A METHOD FOR FORMING AN ELECTRICALLY CONDUCTIVE PATTERN RICOH COMPANY, LTD. (JP) 2016-12-08 US disclosed
US-20140272177-A1 DISPERSING AGENT, A METHOD FOR MANUFACTURING A DISPERSING AGENT, AN INK, AND A METHOD FOR FORMING AN ELECTRICALLY CONDUCTIVE PATTERN RICOH COMPANY, LTD. (JP) 2014-09-18 US disclosed
US-8796354-B2 Dental adhesive composition TOKUYAMA DENTAL CORPORATION (JP) 2014-08-05 US disclosed
US-8546459-B2 Dental filling/restoration kit TOKUYAMA DENTAL CORPORATION (JP) 2013-10-01 US disclosed
US-8513327-B2 Adhesive composition for dental use TOKUYAMA DENTAL CORPORATION (JP) 2013-08-20 US disclosed
US-20110288195-A1 DENTAL FILLING/RESTORATION KIT TOKUYAMA DENTAL CORPORATION (JP) 2011-11-24 US disclosed
US-20110098375-A1 DENTAL ADHESIVE COMPOSITION TOKUYAMA DENTAL CORPORATION (JP) 2011-04-28 US disclosed
EP-2305205-A1 DENTAL ADHESIVE COMPOSITION Tokuyama Dental Corporation (JP) 2011-04-06 EP disclosed
US-20100317762-A1 ADHESIVE COMPOSITION FOR DENTAL USE TOKUYAMA DENTAL CORPORATION 2010-12-16 US disclosed
EP-2123246-A1 ADHESIVE COMPOSITION FOR DENTAL USE Tokuyama Dental Corporation (JP) 2009-11-25 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 (2 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-20100317762-A1 ADHESIVE COMPOSITION FOR DENTAL USE ITGA1, VMA21, ITGA6 TYMS 2905/4885LPAR3 3228/4885LPAR2 2541/4885
US-20110098375-A1 DENTAL ADHESIVE COMPOSITION CAD, CDH1, ITGA4 TYMS 3750/4885LPAR3 1872/4885LPAR2 1866/4885

“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.