SCHEMBL6445218

SCHEMBL6445218

CCCCOCC(C)OCC(C)OCC(C)OP(=O)(O)OC(C)COC(C)COC(C)COCCCC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
LPAR1 Q92633 7/20 0.44
LPAR3 Q9UBY5 7/20 0.44
LPAR5 Q9H1C0 4/20 0.42
PLA2G2C Q5R387 1/20 0.39
LPAR2 Q9HBW0 4/20 0.38
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LPAR6 P43657 3/20 0.36
LPAR4 Q99677 3/20 0.36
SMPD1 P17405 3/20 0.34
USP2 O75604 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34

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
SCHEMBL4940484 1.00 TDP1 (0.46) TDP1LPAR1LPAR3LPAR5PLA2G2C
SCHEMBL8079525 0.93 LPAR5 (0.46) TDP1LPAR1LPAR3LPAR5PLA2G2C
SCHEMBL8096447 0.90 LPAR3 (0.48) TDP1LPAR1LPAR3LPAR5PLA2G2C
Hydrochloric Acid SCHEMBL8156128 0.89 LPAR3 (0.47) TDP1LPAR1LPAR3LPAR5PLA2G2C
SCHEMBL21291958 0.89 LPAR3 (0.51) TDP1LPAR1LPAR3LPAR5PLA2G2C
SCHEMBL21291942 0.87 LPAR5 (0.55) LPAR1LPAR3LPAR5PLA2G2CLPAR2
SCHEMBL8102627 0.84 TDP1 (0.42) TDP1LPAR1LPAR3LPAR5PLA2G2C
SCHEMBL21291931 0.83 LPAR5 (0.50) TDP1LPAR1LPAR3LPAR5PLA2G2C
SCHEMBL21291941 0.79 LPAR3 (0.37) LPAR1LPAR3LPAR5LPAR2CYP3A4
SCHEMBL11044255 0.79 LPAR1 (0.51) LPAR1LPAR3LPAR5PLA2G2CLPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10239239-B2 Internal release agent, composition including internal release agent, and process for producing a plastic lens using same composition MITSUI CHEMICALS, INC. (JP) 2019-03-26 US disclosed
US-20170355106-A1 INTERNAL RELEASE AGENT, COMPOSITION INCLUDING INTERNAL RELEASE AGENT, AND PROCESS FOR PRODUCING A PLASTIC LENS USING SAME COMPOSITION MITSUI CHEMICALS, INC. (JP) 2017-12-14 US disclosed
US-20170355106-A1 INTERNAL RELEASE AGENT, COMPOSITION INCLUDING INTERNAL RELEASE AGENT, AND PROCESS FOR PRODUCING A PLASTIC LENS USING SAME COMPOSITION MITSUI CHEMICALS, INC. (JP) 2017-12-14 US disclosed
EP-1138670-B1 Polythiol, polymerizable composition, resin and lens, and process for preparing thiol compound MITSUI CHEMICALS INC (JP) 2005-05-25 EP disclosed
US-6770735-B2 ORGANIC SULFIDES SUCH AS 1,1,3,3-TETRAKIS(MERCAPTOMETHYLTHIO) PROPANE, USED TO FORM RESINS HAVING HIGH REFRACTIVE INDEX, IMPACT STRENGTH AND HEAT REISTANCE, FOR USE AS LENSES, PRISMS OR OPTICAL FIBER AND FILTERS MITSUI CHEMICALS, INC. (JP) 2004-08-03 US disclosed
US-20030199668-A1 Process for preparing a thiol compound MITSUI CHEMICALS, INC. (JP) 2003-10-23 US disclosed
US-6596841-B2 For producing resin which is used for optical material such as a plastic lens, a prism, an optical fiber, a substrate for an information recording medium, a filter and a light emitting diodes; refractive index MITSUI CHEMICALS, INC. (JP) 2003-07-22 US disclosed
US-20020022713-A1 Polythiol, polymerizable composition, resin and lens, and process for preparing thiol compound MITSUI CHEMICALS, INC. (JP) 2002-02-21 US disclosed
EP-1138670-A1 Polythiol, polymerizable composition, resin and lens, and process for preparing thiol compound Mitsui Chemicals, Inc. (JP) 2001-10-04 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 (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-10239239-B2 Internal release agent, composition including internal release agent, and process for producing a plastic lens using same composition ATP2A1, CHERP, ATP2A2 TDP1 962/4885LPAR1 1833/4885LPAR3 2526/4885

“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.