SCHEMBL898995

SCHEMBL898995

C=C(C)C(=O)OC(C)COP(=O)(O)OP(=O)(O)OCC(C)OC(=O)C(=C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
BTN3A1 O00481 2/20 0.38
LPAR1 Q92633 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
GALR3 O60755 1/20 0.30
MAPT P10636 1/20 0.30
BLM P54132 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL28295872 0.94 BTN3A1 (0.46) TSHRBTN3A1LPAR1LPAR3FNTA
SCHEMBL1468007 0.93 TSHR (0.44) TSHRBTN3A1ALDH1A1CHRM2CHRM4
Ammonia Solution, Strong SCHEMBL18140161 0.92 TSHR (0.43) TSHRBTN3A1ALDH1A1CHRM2CHRM4
SCHEMBL28854386 0.89 TSHR (0.41) TSHRBTN3A1ALDH1A1CHRM2CHRM4
SCHEMBL27898158 0.87 TSHR (0.40) TSHRALDH1A1
SCHEMBL288234 0.86 TSHR (0.44) TSHRLPAR1LPAR3ALDH1A1SMN1; SMN2
SCHEMBL13015463 0.85 TSHR (0.43) TSHRALDH1A1
Ammonia Solution, Strong SCHEMBL18140024 0.85 TSHR (0.43) TSHRLPAR1LPAR3ALDH1A1SMN1; SMN2
SCHEMBL28788432 0.85 TSHR (0.43) TSHRLPAR1LPAR3ALDH1A1SMN1; SMN2
SCHEMBL715271 0.84 TSHR (0.46) TSHRALDH1A1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210052469-A1 POLYMERIZABLE DENTAL COMPOSITION BASED ON CONDENSED SILANES VOCO GMBH (DE) 2021-02-25 US claimed
EP-3782599-A1 DENTAL POLYMERIZABLE COMPOSITION BASED ON CONDENSED SILANES VOCO GmbH (DE) 2021-02-24 EP claimed
US-11992538-B2 Polymerizable dental composition based on condensed silanes VOCO GMBH (DE) 2024-05-28 US disclosed
US-20210052469-A1 POLYMERIZABLE DENTAL COMPOSITION BASED ON CONDENSED SILANES VOCO GMBH (DE) 2021-02-25 US disclosed
EP-2716276-B1 Kit and method for indirect chair-side production of composite inlays VOCO GMBH (DE) 2019-04-24 EP disclosed
EP-2578200-B1 Compounds for infiltrating and/or sealing of dental hard substance and method VOCO GMBH (DE) 2018-03-28 EP disclosed
US-9833387-B2 Kit and method for indirect chairside production of composite inlays VOCO GMBH (DE) 2017-12-05 US disclosed
EP-2436363-B1 Compound comprising a monomer with a polyalicyclic structure element for filling and/or sealing a root canal VOCO GMBH (DE) 2017-01-18 EP disclosed
US-9079828-B2 Polymerizable compounds comprising a polyalicylic structure element VOCO GMBH (DE) 2015-07-14 US disclosed
US-8979535-B2 Compositions for infiltration and/or sealing of hard tooth tissue and corresponding methods VOCO GMBH (DE) 2015-03-17 US disclosed
US-8915736-B2 Composition comprising a monomer with a polyalicyclic structure element for filling and/or sealing a root canal VOCO GMBH (DE) 2014-12-23 US disclosed
US-8697772-B2 Polymerizable phosphoric acid derivatives comprising a polyalicylic structure element VOCO GMBH (DE) 2014-04-15 US disclosed
EP-2578200-A1 Compounds for infiltrating and/or sealing of dental hard substance and method VOCO GmbH (DE) 2013-04-10 EP disclosed
US-20130084546-A1 COMPOSITIONS FOR INFILTRATION AND/OR SEALING OF HARD TOOTH TISSUE AND CORRESPONDING METHODS VOCO GMBH (DE) 2013-04-04 US disclosed
EP-2436668-B1 Polymerisable compounds comprising a polyalicyclic structure element VOCO GMBH (DE) 2012-09-12 EP disclosed
US-20120115108-A1 POLYMERIZABLE PHOSPHORIC ACID DERIVATIVES COMPRISING A POLYALICYLIC STRUCTURE ELEMENT VOCO GMBH (DE) 2012-05-10 US disclosed
EP-2450025-A1 Polymerisable phosphoric acid derivatives comprising a polyalicyclic structure element VOCO GmbH (DE) 2012-05-09 EP disclosed
US-20120082954-A1 Composition Comprising a Monomer with a Polyalicyclic Structure Element for Filling and/or Sealing a Root Canal VOCO GMBH (DE) 2012-04-05 US disclosed
US-20120082959-A1 Polymerizable Compounds Comprising a Polyalicylic Structure Element VOCO GMBH (DE) 2012-04-05 US disclosed
EP-2436668-A1 Polymerisable compounds comprising a polyalicyclic structure element VOCO GmbH (DE) 2012-04-04 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 (5 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-11992538-B2 Polymerizable dental composition based on condensed silanes NCAPH, RCC1, NCAPD2 TSHR 4596/4885BTN3A1 240/4885LPAR1 1832/4885
US-20130084546-A1 COMPOSITIONS FOR INFILTRATION AND/OR SEALING OF HARD TOOTH TISSUE AND CORRESPONDING METHODS ITGB3, RAB5IF, CIB1 TSHR 3392/4885BTN3A1 422/4885LPAR1 4641/4885
US-20120082959-A1 Polymerizable Compounds Comprising a Polyalicylic Structure Element PCBP1, PUF60, PARG TSHR 4695/4885BTN3A1 1534/4885LPAR1 3948/4885
US-20210052469-A1 POLYMERIZABLE DENTAL COMPOSITION BASED ON CONDENSED SILANES NCAPH, RCC1, NCAPD2 TSHR 4596/4885BTN3A1 240/4885LPAR1 1832/4885
US-20120115108-A1 POLYMERIZABLE PHOSPHORIC ACID DERIVATIVES COMPRISING A POLYALICYLIC STRUCTURE ELEMENT CAD, PCBP1, PPIP5K2 TSHR 4604/4885BTN3A1 1173/4885LPAR1 2921/4885

“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.