SCHEMBL1576748

SCHEMBL1576748

C=C(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)C(C(=O)C(=C)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(C(=O)C(=C)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)C(=C)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
KMT2A Q03164 4/20 0.46
TSHR P16473 3/20 0.46
MAPK1 P28482 3/20 0.46
MEN1 O00255 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
BLM P54132 2/20 0.46
ATM Q13315 2/20 0.46
HIF1A Q16665 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MAPT P10636 2/20 0.46
USP2 O75604 1/20 0.46
CYP2D6 P10635 1/20 0.46
GAA P10253 6/20 0.46
LMNA P02545 3/20 0.46
GABBR2 O75899 2/20 0.45
GABBR1 Q9UBS5 2/20 0.45
GMNN O75496 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL2674900 0.85 ALDH1A1 (0.47) ALDH1A1KMT2ATSHRMAPK1MEN1
SCHEMBL20982016 0.85 ALDH1A1 (0.51) ALDH1A1KMT2ATSHRMAPK1MEN1
Formaldehyde SCHEMBL8588342 0.83 ALDH1A1 (0.46) ALDH1A1KMT2ATSHRMAPK1MEN1
Ethane SCHEMBL8447569 0.83 ALDH1A1 (0.46) ALDH1A1KMT2ATSHRMAPK1MEN1
Ethane SCHEMBL17005815 0.83 ALDH1A1 (0.46) ALDH1A1KMT2ATSHRMAPK1MEN1
SCHEMBL5422547 0.83 GAA (0.49) ALDH1A1KMT2ATSHRMAPK1MEN1
Methane SCHEMBL190573 0.83 ALDH1A1 (0.46) ALDH1A1KMT2ATSHRMAPK1MEN1
Methane SCHEMBL1234522 0.83 ALDH1A1 (0.46) ALDH1A1KMT2ATSHRMAPK1MEN1
SCHEMBL95299 0.81 GAA (0.47) ALDH1A1KMT2ATSHRMAPK1MEN1
SCHEMBL28797246 0.80 ALDH1A1 (0.43) ALDH1A1KMT2ATSHRMAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2543736-B1 METHOD FOR PRODUCING 1,5-PENTAMETHYLENE DIISOCYANATE MITSUI CHEMICALS INC (JP) 2019-10-30 EP disclosed
EP-3168256-B1 EYEWEAR MATERIAL COMPRISING A POLYURETHANE RESIN, EYEWEAR FRAME AND LENS MITSUI CHEMICALS INC (JP) 2019-08-07 EP disclosed
EP-3037411-B1 1,4-BIS(ISOCYANATOMETHYL)CYCLOHEXANE, POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, MOLDED ARTICLE, EYEWEAR MATERIAL, EYEWEAR FRAME AND LENS MITSUI CHEMICALS INC (JP) 2019-03-27 EP disclosed
EP-2684867-B1 PENTAMETHYLENE DIISOCYANATE, METHOD FOR PRODUCING PENTAMETHYLENE DIISOCYANATE, POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, AND POLYUREA RESIN MITSUI CHEMICALS INC (JP) 2019-01-02 EP disclosed
EP-2806026-B1 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) 2018-12-26 EP disclosed
EP-3029022-B1 METHOD FOR PRODUCING TRANS-BIS(AMINOMETHYL)CYCLOHEXANE, BIS(ISOCYANATOMETHYL)CYCLOHEXANE, POLYISOCYANATE COMPOSITION, AND POLYURETHANE RESIN MITSUI CHEMICALS INC (JP) 2018-05-16 EP disclosed
US-9969675-B2 Method for producing trans-bis(aminomethyl)cyclohexane, method for producing bis(isocyanatomethyl)cyclohexane, bis(isocyanatomethyl)cyclohexane, polyisocyanate composition, and polyurethane resin MITSUI CHEMICALS, INC. (JP) 2018-05-15 US disclosed
US-9765369-B2 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) 2017-09-19 US disclosed
EP-3168256-A1 1,4-BIS(ISOCYANATOMETHYL)CYCLOHEXANE, POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, MOLDED ARTICLE, EYEWEAR MATERIAL, EYEWEAR FRAME, AND LENS Mitsui Chemicals, Inc. (JP) 2017-05-17 EP 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
EP-2684867-A1 PENTAMETHYLENE DIISOCYANATE, METHOD FOR PRODUCING PENTAMETHYLENE DIISOCYANATE, POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, AND POLYUREA RESIN Mitsui Chemicals, Inc. (JP) 2014-01-15 EP disclosed
US-20130338330-A1 PENTAMETHYLENEDIISOCYANATE, METHOD FOR PRODUCING PENTAMETHYLENEDIISOCYANATE, POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, AND POLYUREA RESIN MITSUI CHEMICALS ,INC. 2013-12-19 US disclosed
US-20130090432-A1 ALKOXYLATED POLYMERS BASF SE (DE) 2013-04-11 US disclosed
US-20130079486-A1 METHOD FOR PRODUCING 1,5-PENTAMETHYLENEDIAMINE, 1,5-PENTAMETHYLENEDIAMINE, 1,5-PENTAMETHYLENE DIISOCYANATE, METHOD FOR PRODUCING 1,5-PENTAMETHYLENE DIISOCYANATE, POLYISOCYANATE COMPOSITION, AND POLYURETHANE RESIN MITSUI CHEMICALS, INC. (JP) 2013-03-28 US disclosed
EP-2543736-A1 METHOD FOR PRODUCING 1,5-PENTAMETHYLENE DIAMINE, 1,5-PENTAMETHYLENE DIAMINE, 1,5-PENTAMETHYLENE DIISOCYANATE, METHOD FOR PRODUCING 1,5-PENTAMETHYLENE DIISOCYANATE, POLYISOCYANATE COMPOSITION, AND POLYURETHANE RESIN Mitsui Chemicals, Inc. (JP) 2013-01-09 EP disclosed
EP-2483320-A1 ALKOXYLATED POLYMERS BASF SE (DE) 2012-08-08 EP disclosed
WO-2011039200-A1 ALKOXYLATED POLYMERS BASF SE (DE) 2011-04-07 WO disclosed
US-20060167209-A1 Production of polyether alcohols by usig dmc catalysis BASF AKTIENGESELLSCHAFT (DE) 2006-07-27 US disclosed
US-5644060-A NO PHASE TRANSFER CATALYST HOECHST ATKIENGESELLSCHAFT (DE) 1997-07-01 US disclosed
US-4672083-A USING 4,6-DIAMINO-1,3,5-TRIAZIN-2-YL COMPOUND AS FORMALDEHYDE BINDING AGENT DEGUSSA AG (DE) 1987-06-09 US 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-20130338330-A1 PENTAMETHYLENEDIISOCYANATE, METHOD FOR PRODUCING PENTAMETHYLENEDIISOCYANATE, POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, AND POLYUREA RESIN UROD, PUF60, PFAS ALDH1A1 1287/4885KMT2A 1053/4885TSHR 2402/4885

“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.