SCHEMBL1840464

SCHEMBL1840464

CCCCCC(CCc1ccccc1)OC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HPGD P15428 1/20 0.46
MMP12 P39900 2/20 0.45
ALDH1A1 P00352 1/20 0.45
S1PR2 O95136 2/20 0.43
S1PR1 P21453 2/20 0.43
CETP P11597 3/20 0.43
CTSK P43235 3/20 0.43
PTGES O14684 3/20 0.43
ALOX5 P09917 3/20 0.43
PPARG P37231 3/20 0.43
S1PR3 Q99500 1/20 0.43

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
SCHEMBL1833893 0.98 ALDH1A1 (0.47) CNR2CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL1837681 0.98 ALDH1A1 (0.47) CNR2CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL1840052 0.98 ALDH1A1 (0.47) CNR2CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL1832713 0.95 CTSK (0.47) CNR2CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL1835288 0.94 CNR2 (0.48) CNR2HPGDALDH1A1S1PR2S1PR1
SCHEMBL1837460 0.94 ALDH1A1 (0.49) CNR2HPGDALDH1A1S1PR2S1PR1
SCHEMBL1839877 0.93 S1PR2 (0.49) CYP1A2ALDH1A1S1PR2S1PR1PPARG
SCHEMBL1837108 0.93 S1PR2 (0.49) CYP1A2ALDH1A1S1PR2S1PR1PPARG
SCHEMBL1835716 0.93 S1PR2 (0.49) CYP1A2ALDH1A1S1PR2S1PR1PPARG
SCHEMBL1841879 0.93 S1PR2 (0.49) CYP1A2ALDH1A1S1PR2S1PR1PPARG

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
EP-3153499-B1 METHOD FOR PRODUCING N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2018-09-19 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
EP-3153499-A1 METHOD FOR PRODUCING N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI KASEI KABUSHIKI KAISHA (JP) 2017-04-12 EP disclosed
EP-3153500-A1 METHOD FOR PRODUCING ISOCYANATE USING N-SUBSTITUTED CARBAMIC ACID ESTER, AND COMPOSITION FOR TRANSFERRING AND STORING N-SUBSTITUTED CARBAMIC ACID ESTER CONTAINING N-SUBSTITUTED CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND ASAHI KASEI KABUSHIKI KAISHA (JP) 2017-04-12 EP disclosed
EP-2439191-B1 METHOD FOR PRODUCING N-SUBSTITUTED CARBAMIC ACID ESTER, METHOD FOR PRODUCING ISOCYANATE USING N-SUBSTITUTED CARBAMIC ACID ESTER, AND COMPOSITION FOR TRANSFERRING AND STORING N-SUBSTITUTED CARBAMIC ACID ESTER CONTAINING N-SUBSTITUTED CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND ASAHI CHEMICAL IND (JP) 2017-01-25 EP 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-9249090-B2 N-substituted carbamic acid ester production method and isocyanate production method using the N-substituted carbamic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-02-02 US disclosed
US-9145357-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-20150038742-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-02-05 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-20140194650-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
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-102105439-A Method for producing N-substituted carbamate and method for producing isocyanate using the N-substituted carbamate ASAHI KASEI CHEMICALS CORP (JP) 2011-06-22 CN 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 CNR2 210/4885CYP1A2 1325/4885CYP2C9 797/4885
US-20140194650-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 CNR2 210/4885CYP1A2 1325/4885CYP2C9 797/4885
US-20150038742-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ALKBH3, CPS1, APEH CNR2 427/4885CYP1A2 121/4885CYP2C9 102/4885

“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.