SCHEMBL1836770

SCHEMBL1836770

O=C(Oc1ccccc1)N(CN(C(=O)Oc1ccccc1)C1CCCCC1)C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
RAB9A P51151 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
AGER Q15109 3/20 0.44
MTNR1A P48039 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43
KMT2A Q03164 1/20 0.43
PAX8 Q06710 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.42
ELANE P08246 1/20 0.42
ACHE P22303 1/20 0.42
TRPM8 Q7Z2W7 1/20 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
SCHEMBL9164717 0.91 ALDH1A1 (0.47) ALDH1A1RAB9AL3MBTL1ATMTDP1
SCHEMBL9163697 0.89 ALDH1A1 (0.44) ALDH1A1RAB9AL3MBTL1ATMTDP1
SCHEMBL3482849 0.86 ALDH1A1 (0.44) ALDH1A1RAB9AL3MBTL1ATMTDP1
SCHEMBL6512103 0.82 ALDH1A1 (0.53) ALDH1A1RAB9AL3MBTL1ATMTDP1
SCHEMBL8063671 0.82 ALDH1A1 (0.53) ALDH1A1RAB9AL3MBTL1ATMTDP1
SCHEMBL11067886 0.80 ALDH1A1 (0.50) ALDH1A1RAB9AL3MBTL1ATMTDP1
SCHEMBL1841625 0.80 MEN1 (0.50) RAB9AL3MBTL1AGERMTNR1AMEN1
SCHEMBL1836819 0.79 TSHR (0.49) ALDH1A1L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL8027933 0.78 ATM (0.45) ALDH1A1RAB9AL3MBTL1ATMTDP1
SCHEMBL6512109 0.78 ALDH1A1 (0.49) ALDH1A1RAB9AL3MBTL1ATMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 ALDH1A1 574/4885RAB9A 2751/4885L3MBTL1 4602/4885
US-20150038742-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ALKBH3, CPS1, APEH ALDH1A1 574/4885RAB9A 2751/4885L3MBTL1 4602/4885

“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.