SCHEMBL720242

SCHEMBL720242

CCCCCCCCCCCCCCOC(=O)OCC

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.59
ALDH1A1 P00352 3/20 0.59
EPHX1 P07099 1/20 0.55
TSHR P16473 3/20 0.53
HCAR2 Q8TDS4 1/20 0.50
RAD52 P43351 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
FAAH O00519 1/20 0.48
LMNA P02545 1/20 0.48
ACHE P22303 6/20 0.48
DGKA P23743 1/20 0.48

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
SCHEMBL1836015 1.00 NAAA (0.59) NAAAALDH1A1EPHX1TSHRHCAR2
SCHEMBL1836808 1.00 NAAA (0.59) NAAAALDH1A1EPHX1TSHRHCAR2
SCHEMBL1836973 1.00 NAAA (0.59) NAAAALDH1A1EPHX1TSHRHCAR2
SCHEMBL448327 1.00 NAAA (0.59) NAAAALDH1A1EPHX1TSHRHCAR2
SCHEMBL1837624 1.00 NAAA (0.59) NAAAALDH1A1EPHX1TSHRHCAR2
SCHEMBL1839333 1.00 NAAA (0.59) NAAAALDH1A1EPHX1TSHRHCAR2
SCHEMBL1837793 1.00 NAAA (0.59) NAAAALDH1A1EPHX1TSHRHCAR2
SCHEMBL1840756 1.00 NAAA (0.59) NAAAALDH1A1EPHX1TSHRHCAR2
SCHEMBL1835018 1.00 NAAA (0.59) NAAAALDH1A1EPHX1TSHRHCAR2
SCHEMBL1842169 1.00 NAAA (0.59) NAAAALDH1A1EPHX1TSHRHCAR2

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-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
US-10544154-B2 Opioid receptor antagonist prodrugs NIRSUM LABORATORIES, INC. (US) 2020-01-28 US disclosed
US-20190308989-A1 OPIOID RECEPTOR ANTAGONIST PRODRUGS NIRSUM LABORATORIES, INC. 2019-10-10 US disclosed
EP-3153499-B1 METHOD FOR PRODUCING N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2018-09-19 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
US-8658819-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) 2014-02-25 US disclosed
CN-102386442-A Nonaqueous electrolyte and nonaqueous electrolyte battery SONY CORP 2012-03-21 CN disclosed
US-20120052374-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS ELECTROLYTE BATTERY SONY CORPORATION (JP) 2012-03-01 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
EP-2322504-A1 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 Kasei Chemicals Corporation (JP) 2011-05-18 EP disclosed
US-7157442-B2 Antibacterial compound SANKYO COMPANY, LIMITED (JP) 2007-01-02 US disclosed
EP-1209166-B1 NOVEL A-500359 DERIVATIVES SANKYO CO (JP) 2004-03-31 EP disclosed
US-20030171330-A1 Antibacterial compound SANKYO COMPANY, LIMITED (JP) 2003-09-11 US disclosed
EP-1209166-A1 NOVEL A-500359 DERIVATIVES Sankyo Company, Limited (JP) 2002-05-29 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 (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 NAAA 57/4885ALDH1A1 1568/4885EPHX1 1711/4885
US-20190308989-A1 OPIOID RECEPTOR ANTAGONIST PRODRUGS OPRM1, OPRK1, OPRL1 NAAA 483/4885ALDH1A1 725/4885EPHX1 1341/4885
US-20030171330-A1 Antibacterial compound TLR1, MPO, O60361 NAAA 1397/4885ALDH1A1 356/4885EPHX1 3783/4885
US-10544154-B2 Opioid receptor antagonist prodrugs OPRM1, OPRK1, OPRL1 NAAA 483/4885ALDH1A1 725/4885EPHX1 1341/4885
US-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ALKBH3, CPS1, APEH NAAA 4/4885ALDH1A1 574/4885EPHX1 533/4885

“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.