SCHEMBL898473

SCHEMBL898473

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 4/20 0.39
LPAR1 Q92633 3/20 0.39
TSHR P16473 3/20 0.36
BTN3A1 O00481 2/20 0.36
PGD P52209 1/20 0.32
ENPP2 Q13822 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FABP3 P05413 1/20 0.31
THRB P10828 1/20 0.31
PLA2G2A P14555 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PLA2G2C Q5R387 1/20 0.30
SMPD1 P17405 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
SCHEMBL2639660 0.94 TSHR (0.38) LPAR3LPAR1TSHRBTN3A1PGD
SCHEMBL898942 0.88 LPAR3 (0.40) LPAR3LPAR1TSHRBTN3A1PGD
SCHEMBL2638511 0.87 PGD (0.42) LPAR3LPAR1TSHRPGDENPP2
SCHEMBL897718 0.85 LPAR3 (0.44) LPAR3LPAR1TSHRENPP2SMN1; SMN2
SCHEMBL3284657 0.85 TSHR (0.39) LPAR3LPAR1TSHRPGDENPP2
SCHEMBL2679164 0.83 LPAR3 (0.48) LPAR3LPAR1TSHRENPP2SMN1; SMN2
SCHEMBL15710232 0.83 LPAR3 (0.43) LPAR3LPAR1TSHRENPP2SMN1; SMN2
SCHEMBL3448811 0.82 PLA2G2C (0.48) LPAR3LPAR1TSHRENPP2FABP3
SCHEMBL27838293 0.81 TSHR (0.36) TSHRTHRBALDH1A1
SCHEMBL22407279 0.81 TSHR (0.38) LPAR3LPAR1TSHRPGDFABP3

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 23 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 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-20140138864-A1 KIT AND METHOD FOR INDIRECT CHAIRSIDE PRODUCTION OF COMPOSITE INLAYS VOCO GMBH (DE) 2014-05-22 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
US-6790877-B2 Bonding compositions for dental use KURARAY CO., LTD. (JP) 2004-09-14 US disclosed
US-20020035169-A1 Bonding compositions for dental use KURARAY CO., LTD (JP) 2002-03-21 US disclosed
US-6355704-B1 BACTERICIDE PRIMERS; BONDING TO TEETH KURARAY CO., LTD. (JP) 2002-03-12 US disclosed
EP-0980682-A1 Bonding compositions for dental use KURARAY CO., LTD. (JP) 2000-02-23 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 (4 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-20020035169-A1 Bonding compositions for dental use PTK2, DEK, POLK LPAR3 4225/4885LPAR1 4116/4885TSHR 4726/4885
US-20120082959-A1 Polymerizable Compounds Comprising a Polyalicylic Structure Element PCBP1, PUF60, PARG LPAR3 3723/4885LPAR1 3948/4885TSHR 4695/4885
US-20210052469-A1 POLYMERIZABLE DENTAL COMPOSITION BASED ON CONDENSED SILANES NCAPH, RCC1, NCAPD2 LPAR3 1042/4885LPAR1 1832/4885TSHR 4596/4885
US-20120115108-A1 POLYMERIZABLE PHOSPHORIC ACID DERIVATIVES COMPRISING A POLYALICYLIC STRUCTURE ELEMENT CAD, PCBP1, PPIP5K2 LPAR3 3273/4885LPAR1 2921/4885TSHR 4604/4885

“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.