SCHEMBL1954302

SCHEMBL1954302

CCCOC(c1ccccc1)c1ccc(O)c(C(OCCC)c2ccccc2)c1C(OCCC)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
SLC6A4 P31645 4/20 0.41
SLC6A3 Q01959 4/20 0.41
CYP2D6 P10635 3/20 0.41
SCN1A P35498 3/20 0.41
SCN2A Q99250 3/20 0.41
SCN3A Q9NY46 3/20 0.41
LMNA P02545 3/20 0.41
ADRA1A P35348 3/20 0.41
CHRM2 P08172 3/20 0.41
ADRA2A P08913 3/20 0.41
CHRM1 P11229 3/20 0.41
SLC6A2 P23975 3/20 0.41
OPRM1 P35372 3/20 0.41
DRD3 P35462 3/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
ADRA2B P18089 2/20 0.41
CHRM3 P20309 2/20 0.41
HRH2 P25021 2/20 0.41

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
SCHEMBL1952790 0.92 RXRA (0.41) HTTSLC6A4SLC6A3CYP2D6SCN1A
SCHEMBL1951946 0.90 HTT (0.38) HTTSLC6A4SLC6A3CYP2D6SCN1A
SCHEMBL1953536 0.89 HTT (0.37) HTTSLC6A4SLC6A3CYP2D6SCN1A
SCHEMBL1955232 0.89 NPC1 (0.39) HTTSLC6A4SLC6A3CYP2D6SCN1A
SCHEMBL1955307 0.89 NPC1 (0.39) HTTSLC6A4SLC6A3CYP2D6SCN1A
SCHEMBL1955418 0.89 NPC1 (0.39) HTTSLC6A4SLC6A3CYP2D6SCN1A
SCHEMBL1953487 0.89 NPC1 (0.39) HTTSLC6A4SLC6A3CYP2D6SCN1A
SCHEMBL1954305 0.88 CYP2D6 (0.43) HTTSLC6A4SLC6A3CYP2D6SCN1A
SCHEMBL1953251 0.81 CYP2D6 (0.48) HTTSLC6A4SLC6A3CYP2D6SCN1A
SCHEMBL1954220 0.80 CYP2D6 (0.42) HTTSLC6A4SLC6A3CYP2D6SCN1A

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 20 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-2895456-B1 AMINOETHYLATION PROCESS FOR PRODUCING ARYLOXYALKYLENE AMINE COMPOUNDS CHEVRON ORONITE CO (US) 2018-05-30 EP disclosed
EP-3293173-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Kabushiki Kaisha (JP) 2018-03-14 EP disclosed
EP-2322504-B9 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2017-09-06 EP disclosed
US-9714215-B2 Method for producing isocyanate ASAHI KASEI CHEMICALS CORPORATION (JP) 2017-07-25 US disclosed
EP-2322504-B1 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2016-09-28 EP 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
EP-2895456-A1 AMINOETHYLATION PROCESS FOR PRODUCING ARYLOXYALKYLENE AMINE COMPOUNDS Chevron Oronite Company LLC (US) 2015-07-22 EP disclosed
US-9035097-B2 Aminoethylation process having improved yield of aryloxyalkylene amine compounds and reduced urea by-products CHEVRON ORONITE COMPANY LLC (US) 2015-05-19 US disclosed
US-8884047-B2 N-substituted carbamic acid ester production method and isocyanate production method using the N-substituted carbamic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-11-11 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-2014042756-A1 AMINOETHYLATION PROCESS FOR PRODUCING ARYLOXYALKYLENE AMINE COMPOUNDS CHEVRON ORONITE COMPANY LLC (US) 2014-03-20 WO disclosed
US-20140073814-A1 AMINOETHYLATION PROCESS HAVING IMPROVED YIELD OF ARYLOXYALKYLENE AMINE COMPOUNDS AND REDUCED UREA BY-PRODUCTS CHEVRON ORONITE COMPANY LLC (US) 2014-03-13 US disclosed
US-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-06-30 US disclosed
US-20110133121-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) 2011-06-09 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 (5 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-20110133121-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 HTT 169/4885SLC6A4 1942/4885SLC6A3 3019/4885
US-20140073814-A1 AMINOETHYLATION PROCESS HAVING IMPROVED YIELD OF ARYLOXYALKYLENE AMINE COMPOUNDS AND REDUCED UREA BY-PRODUCTS SRM, ODC1, DDC HTT 2462/4885SLC6A4 1629/4885SLC6A3 2824/4885
US-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ALKBH3, CPS1, APEH HTT 423/4885SLC6A4 2263/4885SLC6A3 3091/4885
US-20160052874-A1 METHOD FOR PRODUCING ISOCYANATE CPS1, ALKBH3, IDH3A HTT 351/4885SLC6A4 2231/4885SLC6A3 2722/4885
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 HTT 169/4885SLC6A4 1942/4885SLC6A3 3019/4885

“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.