SCHEMBL9577448

SCHEMBL9577448

[CH2]C([CH2])(COP(O)O)COP(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.34
TSHR P16473 2/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
CES2 O00748 2/20 0.31
LPAR3 Q9UBY5 6/20 0.31
LPAR2 Q9HBW0 5/20 0.31
LPAR1 Q92633 2/20 0.31
NAAA Q02083 1/20 0.31
RAD52 P43351 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
GBA1 P04062 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL1138905 0.83
SCHEMBL29169877 0.82 THRB (0.40) TSHRMEN1THRBHTTKMT2A
SCHEMBL27497579 0.78 THRB (0.40) CES1TSHRMEN1THRBHTT
SCHEMBL29364788 0.78 THRB (0.40) CES1TSHRMEN1THRBHTT
SCHEMBL29443114 0.78 THRB (0.40) CES1TSHRMEN1THRBHTT
SCHEMBL9038994 0.78 THRB (0.43) TSHRMEN1THRBHTTKMT2A
SCHEMBL30211334 0.78 THRB (0.43) TSHRMEN1THRBHTTKMT2A
SCHEMBL28241797 0.76 THRB (0.39) CES1TSHRMEN1THRBHTT
Ethylene SCHEMBL11655604 0.76 THRB (0.41) TSHRMEN1THRBHTTKMT2A
SCHEMBL3319123 0.75 THRB (0.44) TSHRMEN1THRBHTTKMT2A

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-10822531-B2 Two-component curable solventless-type laminate adhesive and resin cured product MITSUI CHEMICALS, INC. (JP) 2020-11-03 US disclosed
US-10793666-B2 Polyisocyanate composition, polyurethane resin and two-component curable polyurethane composition MITSUI CHEMICALS, INC. (JP) 2020-10-06 US disclosed
US-10689477-B2 Polyisocyanate composition, polyurethane resin, two-component curable polyurethane composition, and coating material MITSUI CHEMICALS, INC. (JP) 2020-06-23 US disclosed
US-10689481-B2 Polyisocyanate composition, polyurethane resin, two-component curable polyurethane composition, and coating material MITSUI CHEMICALS, INC. (JP) 2020-06-23 US disclosed
US-20190292306-A1 POLYURETHANE FOAM, APPAREL MATERIAL, BRASSIERE PAD, BRASSIERE CUP, AND METHOD FOR PRODUCING POLYURETHANE FOAM MITSUI CHEMICALS, INC. (JP) 2019-09-26 US disclosed
US-20190010372-A1 TWO-COMPONENT CURABLE SOLVENTLESS-TYPE LAMINATE ADHESIVE AND RESIN CURED PRODUCT MITSUI CHEMICALS, INC. (JP) 2019-01-10 US disclosed
US-20180179317-A1 POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, TWO-COMPONENT CURABLE POLYURETHANE COMPOSITION, AND COATING MATERIAL MITSUI CHEMICALS, INC. (JP) 2018-06-28 US disclosed
US-20180162986-A1 POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, TWO-COMPONENT CURABLE POLYURETHANE COMPOSITION, AND COATING MATERIAL MITSUI CHEMICALS, INC. (JP) 2018-06-14 US disclosed
US-20180155486-A1 POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN AND TWO-COMPONENT CURABLE POLYURETHANE COMPOSITION MITSUI CHEMICALS, INC. (JP) 2018-06-07 US disclosed
US-20170342189-A1 SELF-REPAIRING POLYURETHANE RESIN MATERIAL, SELF-REPAIRING POLYURETHANE RESIN, SELF-REPAIRING COATING MATERIAL, SELF-REPAIRING ELASTOMER MATERIAL, METHOD FOR PRODUCING SELF-REPAIRING POLYURETHANE RESIN MATERIAL, AND METHOD FOR PRODUCING SELF-REPAIRING POLYURETHANE RESIN MITSUI CHEMICALS, INC. (JP) 2017-11-30 US disclosed
US-9725422-B2 Isocyanurate composition MITSUI CHEMICALS, INC. (JP) 2017-08-08 US disclosed
US-20170107186-A1 ISOCYANURATE COMPOSITION MITSUI CHEMICALS, INC. (JP) 2017-04-20 US disclosed
US-9477012-B2 1,4-bis(isocyanatomethyl)cyclohexane, polyisocyanate composition, polyurethane resin, molded article, eyewear material, eyewear frame, and lens MITSUI CHEMICALS, INC. (JP) 2016-10-25 US disclosed
US-9475903-B2 1,4-bis(isocyanatomethyl)cyclohexane, polyisocyanate composition, polyurethane resin, molded article, eyewear material, eyewear frame, and lens MITSUI CHEMICALS, INC. (JP) 2016-10-25 US disclosed
US-20160090368-A1 PENTAMETHYLENEDIISOCYANATE, METHOD FOR PRODUCING PENTAMETHYLENEDIISOCYANATE, POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, AND POLYUREA RESIN MITSUI CHEMICALS, INC. (JP) 2016-03-31 US disclosed
US-20150342276-A1 1,4-BIS(ISOCYANATOMETHYL)CYCLOHEXANE, POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, MOLDED ARTICLE, EYEWEAR MATERIAL, EYEWEAR FRAME, AND LENS MITSUI CHEMICALS, INC. (JP) 2015-12-03 US disclosed
US-20150132808-A1 METHOD FOR PRODUCING 1,5-PENTAMETHYLENEDIAMINE, MUTANT LYSINE DECARBOXYLASE, METHOD FOR PRODUCING 1,5-PENTAMETHYLENE DIISOCYANATE AND METHOD FOR PRODUCING POLYISOCYANATE COMPOSITION MITSUI CHEMICALS, INC. (JP) 2015-05-14 US disclosed
EP-0254348-B1 PROCESS OF (CO)POLYMERIZATION OF ALPHA-OLEFINS IN THE PRESENCE OF ANTIOXIDANTS ENICHEM SYNTHESIS S.p.A. (IT) 1993-08-25 EP disclosed
US-4824885-A PHOSPHITES OR PHOSPHONITES ENICHEM SINTESI S.P.A. (IT) 1989-04-25 US disclosed
EP-0254348-A2 Process of (co)polymerization of alpha-olefins in the presence of antioxidants ENICHEM SYNTHESIS S.p.A. (IT) 1988-01-27 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-20160090368-A1 PENTAMETHYLENEDIISOCYANATE, METHOD FOR PRODUCING PENTAMETHYLENEDIISOCYANATE, POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, AND POLYUREA RESIN UROD, PUF60, PFAS CES1 1578/4885TSHR 2402/4885MEN1 1248/4885

“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.