SCHEMBL1367356

SCHEMBL1367356

C=C(C)COCCCCOC(=O)CP(=O)(O)O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.36
TSHR P16473 2/20 0.34
NAAA Q02083 1/20 0.33
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
BTN3A1 O00481 1/20 0.30
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL1366701 0.98 CES2 (0.39) CES2TSHRNAAAPGK1PGK2
SCHEMBL1368625 0.90 THRB (0.37) TSHRPGK1PGK2BTN3A1TDP1
SCHEMBL21052534 0.83 PRSS1 (0.38) CES2TSHRNAAAPRSS1PRSS2
SCHEMBL21052530 0.83 PRSS1 (0.38) CES2TSHRNAAAPRSS1PRSS2
SCHEMBL21052531 0.83 PRSS1 (0.38) CES2TSHRNAAAPRSS1PRSS2
SCHEMBL1367358 0.80 TSHR (0.56) TSHRNAAAPGK1PGK2POLB
SCHEMBL11221476 0.80 TSHR (0.46) CES2TSHRNAAAPRSS1PRSS2
SCHEMBL11232200 0.80 PRSS1 (0.47) CES2TSHRNAAAPRSS1PRSS2
SCHEMBL1366702 0.79 TSHR (0.59) TSHRNAAAPGK1PGK2POLB
SCHEMBL12895904 0.79 TSHR (0.59) TSHRNAAAPGK1PGK2POLB

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 10 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
EP-2305205-B1 DENTAL ADHESIVE COMPOSITION TOKUYAMA DENTAL CORP (JP) 2018-04-11 EP 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 CES2 4472/4885TSHR 1077/4885NAAA 626/4885
US-20110098375-A1 DENTAL ADHESIVE COMPOSITION CAD, CDH1, ITGA4 CES2 4130/4885TSHR 2496/4885NAAA 2122/4885

“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.