SCHEMBL2537048

SCHEMBL2537048

C=C(CCC(CC)(CO)CO)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.35
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL1142230 0.87 TET2 (0.35) TET2ALDH1A1
SCHEMBL3865745 0.79 TET2 (0.38) TET2
SCHEMBL8977471 0.78 TET2 (0.38) TET2
SCHEMBL15330170 0.78 ABCC4 (0.32) TET2ALDH1A1
SCHEMBL6868827 0.78
Itaconate SCHEMBL27748501 0.76 ALOX15 (0.50) TET2
Methacrylic Acid SCHEMBL8850435 0.76
SCHEMBL23494152 0.75 TET2 (0.42) TET2MEN1ALDH1A1CYP1A2THRB
SCHEMBL124125 0.75 TET2 (0.42) TET2
SCHEMBL4930871 0.75 TET2 (0.42) TET2MEN1ALDH1A1CYP1A2THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066949-A1 LAMINATE ADHESIVE, METHOD FOR PRODUCING LAMINATE FILM, LAMINATE FILM, AND RETORT POUCH MATERIAL MITSUI CHEMICALS, INC. (JP) 2017-03-09 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-9376404-B2 Pentamethylene diisocyanate, method for producing pentamethylene diisocyanate, polyisocyanate composition, polyurethane resin, and polyurea resin MITSUI CHEMICALS, INC. (JP) 2016-06-28 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-20160083503-A1 PENTAMETHYLENEDIISOCYANATE, METHOD FOR PRODUCING PENTAMETHYLENEDIISOCYANATE, POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, AND POLYUREA RESIN MITSUI CHEMICALS, INC. (JP) 2016-03-24 US disclosed
US-20150346387-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-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-9200179-B2 Polyurethane dispersion and method for producing the same MITSUI CHEMICALS, INC. (JP) 2015-12-01 US disclosed
US-8722752-B2 Polyurethane resin MITSUI CHEMICALS, INC. (JP) 2014-05-13 US disclosed
EP-2105452-B1 AQUEOUS URETHANE RESIN COMPOSITION MITSUI CHEMICALS INC (JP) 2013-03-20 EP disclosed
US-8044163-B2 Aqueous polyurethane resin MITSUI CHEMICALS, INC. (JP) 2011-10-25 US disclosed
US-20100216905-A1 POLYURETHANE RESIN MITSUI CHEMICALS, INC. 2010-08-26 US disclosed
US-20090312515-A1 AQUEOUS POLYURETHANE RESIN MITSUI CHEMICALS, INC. (JP) 2009-12-17 US disclosed
EP-2105452-A1 AQUEOUS URETHANE RESIN COMPOSITION Mitsui Chemicals, Inc. (JP) 2009-09-30 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 TET2 389/4885MEN1 1248/4885ALDH1A1 1287/4885

“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.