SCHEMBL1023754

SCHEMBL1023754

CCCCCOC(=O)Nc1cccc(C)c1NC(=O)OCCCCC

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.60
SMN1; SMN2 Q16637 4/20 0.54
CYP1A2 P05177 3/20 0.54
CYP2C19 P33261 3/20 0.54
NLRP3 Q96P20 4/20 0.52
LMNA P02545 2/20 0.49
ALDH1A1 P00352 3/20 0.48
HPGD P15428 5/20 0.48
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
CYP2C9 P11712 2/20 0.48
EPHX2 P34913 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL1022068 0.99 MAPK1 (0.59) MAPK1SMN1; SMN2CYP1A2CYP2C19NLRP3
SCHEMBL1023696 0.99 MAPK1 (0.59) MAPK1SMN1; SMN2CYP1A2CYP2C19NLRP3
SCHEMBL1025186 0.99 MAPK1 (0.59) MAPK1SMN1; SMN2CYP1A2CYP2C19NLRP3
SCHEMBL1024875 0.96 MAPK1 (0.61) MAPK1SMN1; SMN2CYP1A2CYP2C19NLRP3
SCHEMBL28969406 0.95 MAPK1 (0.57) MAPK1SMN1; SMN2CYP1A2CYP2C19NLRP3
SCHEMBL28969412 0.93 MAPK1 (0.56) MAPK1SMN1; SMN2CYP1A2CYP2C19NLRP3
SCHEMBL28969407 0.93 MAPK1 (0.56) MAPK1SMN1; SMN2CYP1A2CYP2C19NLRP3
SCHEMBL28969410 0.93 MAPK1 (0.56) MAPK1SMN1; SMN2CYP1A2CYP2C19NLRP3
SCHEMBL28969411 0.93 MAPK1 (0.56) MAPK1SMN1; SMN2CYP1A2CYP2C19NLRP3
SCHEMBL28969408 0.93 MAPK1 (0.56) MAPK1SMN1; SMN2CYP1A2CYP2C19NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637445-B2 Isocyanate production process using composition containing carbamic acid ester and aromatic hydroxy compound, and composition for transfer and storage of carbamic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2017-05-02 US disclosed
EP-2147909-B1 METHOD FOR PRODUCTION OF ISOCYANATE USING COMPOSITION COMPRISING CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND, AND COMPOSITION FOR TRANSPORT OR STORAGE OF CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2016-12-14 EP disclosed
US-20150259279-A1 Isocyanate Production Process Using Composition Containing Carbamic Acid Ester and Aromatic Hydroxy Compound, and Composition for Transfer and Storage of Carbamic Acid Ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-09-17 US disclosed
US-9056819-B2 Isocyanate production process using composition containing carbamic acid ester and aromatic hydroxy compound, and composition for transfer and storage of carbamic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-06-16 US disclosed
EP-2088138-B1 Process for producing isocyanate ASAHI KASEI CHEMICALS CORP (JP) 2013-02-27 EP disclosed
US-8362293-B2 Process for producing isocyanates ASAHI KASEI CHEMICALS CORPORATION (JP) 2013-01-29 US disclosed
US-8053595-B2 Process for producing isocyanates ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-11-08 US disclosed
EP-2088137-B1 A PROCESS FOR PRODUCING ISOCYANATES ASAHI KASEI CHEMICALS CORP (JP) 2011-01-12 EP disclosed
US-20100113823-A1 ISOCYANATE PRODUCTION PROCESS USING COMPOSITION CONTAINING CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND, AND COMPOSITION FOR TRANSFER AND STORAGE OF CARBAMIC ACID ESTER ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-05-06 US disclosed
US-20100069665-A1 PROCESS FOR PRODUCING ISOCYANATES AHAHI KASEI CHEMICALS CORPORATION (JP) 2010-03-18 US disclosed
US-20100029981-A1 PROCESS FOR PRODUCING ISOCYANATES ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-02-04 US disclosed
EP-2147909-A1 METHOD FOR PRODUCTION OF ISOCYANATE USING COMPOSITION COMPRISING CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND, AND COMPOSITION FOR TRANSPORT OR STORAGE OF CARBAMIC ACID ESTER Asahi Kasei Chemicals Corporation (JP) 2010-01-27 EP disclosed
EP-2088137-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2009-08-12 EP disclosed
EP-2088138-A1 PROCESS FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2009-08-12 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 (4 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-20100113823-A1 ISOCYANATE PRODUCTION PROCESS USING COMPOSITION CONTAINING CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND, AND COMPOSITION FOR TRANSFER AND STORAGE OF CARBAMIC ACID ESTER PAH, APEH, CPS1 MAPK1 3960/4885SMN1; SMN2 4075/4885CYP1A2 308/4885
US-20100029981-A1 PROCESS FOR PRODUCING ISOCYANATES PAH, ALKBH3, GRHPR MAPK1 2340/4885SMN1; SMN2 4580/4885CYP1A2 32/4885
US-20100069665-A1 PROCESS FOR PRODUCING ISOCYANATES CPS1, IDH2, PHGDH MAPK1 3838/4885SMN1; SMN2 3651/4885CYP1A2 205/4885
US-20150259279-A1 Isocyanate Production Process Using Composition Containing Carbamic Acid Ester and Aromatic Hydroxy Compound, and Composition for Transfer and Storage of Carbamic Acid Ester PAH, APEH, CPS1 MAPK1 3960/4885SMN1; SMN2 4075/4885CYP1A2 308/4885

“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.