SCHEMBL17075217

SCHEMBL17075217

CCCCCC(C1CCC(OC(N)=O)CC1)C1CCC(OC(N)=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.41
ATM Q13315 1/20 0.37
TP53 P04637 1/20 0.35
OPRM1 P35372 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
ADRA1A P35348 1/20 0.33
CHRNA4 P43681 1/20 0.33
HTR3A P46098 1/20 0.33
KCNH2 Q12809 1/20 0.33
TSHR P16473 1/20 0.33
BCHE P06276 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ZDHHC7 Q9NXF8 1/20 0.33
GPR84 Q9NQS5 2/20 0.33

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
SCHEMBL17075167 0.98 NAAA (0.43) NAAAATMTP53TSHRBCHE
SCHEMBL30211062 0.73 NAAA (0.51) NAAAATMTP53
SCHEMBL28736580 0.72 LMNA (0.37) TP53BCHEZDHHC7GPR84
SCHEMBL1023134 0.72 NAAA (0.41) NAAAATMSMN1; SMN2
SCHEMBL1023423 0.71 NAAA (0.43) NAAAATMBCHE
SCHEMBL1024979 0.71 NAAA (0.43) NAAAATMBCHE
SCHEMBL1021185 0.71 NAAA (0.43) NAAAATMBCHE
SCHEMBL29010209 0.71 GNAI3 (0.43) OPRM1
SCHEMBL6470138 0.71 GNAI3 (0.43) OPRM1
SCHEMBL425737 0.71

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 2 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
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

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-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 NAAA 149/4885ATM 3515/4885TP53 1871/4885

“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.