SCHEMBL17075167

SCHEMBL17075167

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.43
ATM Q13315 1/20 0.36
GPR84 Q9NQS5 3/20 0.35
FFAR1 O14842 1/20 0.35
ZDHHC7 Q9NXF8 1/20 0.35
BCHE P06276 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 1/20 0.34
TP53 P04637 1/20 0.34
LCK P06239 1/20 0.34
PPARD Q03181 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
S1PR2 O95136 1/20 0.34
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34

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
SCHEMBL17075217 0.98 NAAA (0.41) NAAAATMGPR84ZDHHC7BCHE
SCHEMBL6470138 0.73 GNAI3 (0.43)
SCHEMBL29010209 0.73 GNAI3 (0.43)
SCHEMBL1021185 0.73 NAAA (0.43) NAAAATMBCHEMAPT
SCHEMBL1024979 0.73 NAAA (0.43) NAAAATMBCHEMAPT
SCHEMBL1023423 0.73 NAAA (0.43) NAAAATMBCHEMAPT
SCHEMBL30211062 0.72 NAAA (0.51) NAAAATMMAPTTP53
SCHEMBL28111080 0.72 CHRM2 (0.50) NAAAGPR84FFAR1ZDHHC7TSHR
SCHEMBL15287643 0.72 CHRM2 (0.50) NAAAGPR84FFAR1ZDHHC7TSHR
SCHEMBL27746768 0.72 CHRM2 (0.50) NAAAGPR84FFAR1ZDHHC7TSHR

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 3515/4885GPR84 1445/4885

“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.