SCHEMBL16223100

SCHEMBL16223100

CCCCCCCc1ccc(OC(=O)NCC2(C)CC(OC(N)=O)CC(C)(C)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.41
THRA P10827 1/20 0.41
MGLL Q99685 4/20 0.39
SPHK1 Q9NYA1 10/20 0.37
SPHK2 Q9NRA0 2/20 0.37
TSHR P16473 1/20 0.36
FAAH O00519 1/20 0.36

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
SCHEMBL15482355 1.00 THRB (0.41) THRBTHRAMGLLSPHK1SPHK2
SCHEMBL2929544 0.87 TSHR (0.34) MGLLSPHK1SPHK2TSHRFAAH
SCHEMBL2933089 0.87 TSHR (0.34) MGLLSPHK1SPHK2TSHRFAAH
SCHEMBL2928080 0.85 TSHR (0.34) THRBSPHK1SPHK2TSHRFAAH
SCHEMBL1836894 0.85 TSHR (0.53) THRBTHRAMGLLTSHRFAAH
SCHEMBL1836551 0.85 TSHR (0.53) THRBTHRAMGLLTSHRFAAH
SCHEMBL1835226 0.85 TSHR (0.53) THRBTHRAMGLLTSHRFAAH
SCHEMBL2930527 0.83 THRA (0.43) THRBTHRATSHR
SCHEMBL2929785 0.83 THRA (0.43) THRBTHRATSHR
SCHEMBL2929721 0.83 THRA (0.43) THRBTHRATSHR

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 5 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

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

For each of this compound's patents that has machine-readable text (1 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-20150038742-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ALKBH3, CPS1, APEH THRB 2483/4885THRA 2001/4885MGLL 1369/4885

“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.