SCHEMBL6687649

SCHEMBL6687649

CCCCCCCCCNc1ccccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.48
IDO1 P14902 1/20 0.46
CNR2 P34972 4/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
ALOX12 P18054 1/20 0.44
KMT2A Q03164 1/20 0.44
CHRM2 P08172 1/20 0.44
CNR1 P21554 1/20 0.43
S1PR2 O95136 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
EPHX1 P07099 3/20 0.42
HTT P42858 1/20 0.42
KCNH3 Q9ULD8 1/20 0.42

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
SCHEMBL1955069 1.00 NAAA (0.53) NAAAL3MBTL1IDO1CNR2ALDH1A1
SCHEMBL1573487 1.00 NAAA (0.53) NAAAL3MBTL1IDO1CNR2ALDH1A1
SCHEMBL1955158 1.00 NAAA (0.53) NAAAL3MBTL1IDO1CNR2ALDH1A1
SCHEMBL28268309 1.00 NAAA (0.53) NAAAL3MBTL1IDO1CNR2ALDH1A1
SCHEMBL28351079 1.00 NAAA (0.53) NAAAL3MBTL1IDO1CNR2ALDH1A1
SCHEMBL1953353 1.00 NAAA (0.53) NAAAL3MBTL1IDO1CNR2ALDH1A1
SCHEMBL1953529 1.00 NAAA (0.53) NAAAL3MBTL1IDO1CNR2ALDH1A1
SCHEMBL1954251 1.00 NAAA (0.53) NAAAL3MBTL1IDO1CNR2ALDH1A1
SCHEMBL45593 0.98 NAAA (0.50) NAAAL3MBTL1IDO1CNR2ALDH1A1
Sulfuric Acid SCHEMBL9722544 0.93 L3MBTL1 (0.53) NAAAL3MBTL1CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3838892-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2022-10-12 EP disclosed
EP-3293173-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2021-07-28 EP disclosed
EP-3838892-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Kabushiki Kaisha (JP) 2021-06-23 EP disclosed
EP-2980066-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2021-04-21 EP disclosed
EP-3293173-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Kabushiki Kaisha (JP) 2018-03-14 EP disclosed
US-9714215-B2 Method for producing isocyanate ASAHI KASEI CHEMICALS CORPORATION (JP) 2017-07-25 US disclosed
US-20160052874-A1 METHOD FOR PRODUCING ISOCYANATE ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-02-25 US disclosed
EP-2980066-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2016-02-03 EP disclosed
US-9145358-B2 N-substituted carbamic acid ester production method, isocyanate production method using such N-substituted carbamic acid ester, and composition for transfer and storage of N-substituted carbamic acid ester comprising N-substituted carbamic acid ester and aromatic hydroxy compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-09-29 US disclosed
US-20140194644-A1 N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, and Composition for Transfer and Storage of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-07-10 US disclosed
WO-2004060689-A1 POLYMER BLEND COMPOSITIONS MEADWESTVACO CORPORATION (US) 2004-07-22 WO disclosed
US-6756129-B1 Polymer blend compositions MEADWESTVACO CORPORATION 2004-06-29 US disclosed
US-20040121173-A1 POLYMER BLEND COMPOSITIONS WESTVACO CORPORATION, A CORPORATION OF THE STATE OF DELAWARE (US) 2004-06-24 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 (2 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-20160052874-A1 METHOD FOR PRODUCING ISOCYANATE CPS1, ALKBH3, IDH3A NAAA 43/4885L3MBTL1 4561/4885IDO1 228/4885
US-20140194644-A1 N-Substituted Carbamic Acid Ester Production Method, Isocyanate Production Method Using Such N-Substituted Carbamic Acid Ester, and Composition for Transfer and Storage of N-Substituted Carbamic Acid Ester Comprising N-Substituted Carbamic Acid Ester and Aromatic Hydroxy Compound CPS1, ALKBH3, RCC1 NAAA 57/4885L3MBTL1 4813/4885IDO1 2297/4885

“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.