SCHEMBL1839320

SCHEMBL1839320

CCCOC(=O)Nc1ccccc1Cc1ccccc1NC(=O)OCCC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
LMNA P02545 3/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HPGD P15428 2/20 0.49
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 5/20 0.48
MAPK1 P28482 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45

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
SCHEMBL8404940 0.92 SMN1; SMN2 (0.55) SMN1; SMN2CYP1A2CYP2C19LMNAMEN1
SCHEMBL1837603 0.91 SMN1; SMN2 (0.66) SMN1; SMN2CYP1A2CYP2C19LMNAHPGD
SCHEMBL1841787 0.89 SMN1; SMN2 (0.60) SMN1; SMN2CYP1A2CYP2C19LMNAHPGD
SCHEMBL1835248 0.88 SMN1; SMN2 (0.59) SMN1; SMN2CYP1A2CYP2C19LMNAHPGD
SCHEMBL1836616 0.88 SMN1; SMN2 (0.59) SMN1; SMN2CYP1A2CYP2C19LMNAHPGD
SCHEMBL1838812 0.88 SMN1; SMN2 (0.59) SMN1; SMN2CYP1A2CYP2C19LMNAHPGD
SCHEMBL940109 0.87 ALDH1A1 (0.62) SMN1; SMN2CYP1A2CYP2C19LMNAMEN1
SCHEMBL28108900 0.85 SMN1; SMN2 (0.55) SMN1; SMN2CYP1A2CYP2C19LMNAMEN1
SCHEMBL28335642 0.83 SMN1; SMN2 (0.64) SMN1; SMN2CYP1A2CYP2C19LMNAHPGD
SCHEMBL8057144 0.83 SMN1; SMN2 (0.60) SMN1; SMN2CYP1A2CYP2C19LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2752405-B1 METHOD FOR PREPARING POLYMETHYLENE POLYPHENYL POLYAMINO FORMATE INST PROCESS ENG CAS (CN) 2018-08-22 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-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-9062161-B2 Method for preparing polymethylene polyphenyl polycarbamate INSTITUTE OF PROCESS ENGINEERING, CHINESE ACADEMY OF SCIENCES (CN) 2015-06-23 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-20140316100-A1 METHOD FOR PREPARING POLYMETHYLENE POLYPHENYL POLYCARBAMATE INSTITUTE OF PROCESS ENGINEERING, CHINESE ACADEMY OF SCIENCES (CN) 2014-10-23 US disclosed
EP-2752405-A1 METHOD FOR PREPARING POLYMETHYLENE POLYPHENYL POLYAMINO FORMATE Institute of Process Engineering, Chinese Academy of Sciences (CN) 2014-07-09 EP 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
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 (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-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ALKBH3, CPS1, APEH SMN1; SMN2 4254/4885CYP1A2 121/4885CYP2C19 132/4885
US-20150038742-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ALKBH3, CPS1, APEH SMN1; SMN2 4254/4885CYP1A2 121/4885CYP2C19 132/4885

“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.