SCHEMBL21705210

SCHEMBL21705210

CC(C)(C)OC(=O)N1CCN(CCOC(=O)c2cc(I)cc(I)c2I)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 3/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ACKR3 P25106 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
EPHX2 P34913 4/20 0.38
SLC29A1 Q99808 1/20 0.38
GPR4 P46093 1/20 0.37
DPP4 P27487 1/20 0.36
PLK1 P53350 1/20 0.36
SQOR Q9Y6N5 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
SCHEMBL21705757 0.91 HTR4 (0.43) HTR4RXFP1SLC29A1
SCHEMBL26426652 0.84 GPR119 (0.47)
SCHEMBL21783772 0.84 HRH3 (0.49) HTR4SLC29A1
SCHEMBL21705602 0.83 HTR4 (0.42) HTR4SLC29A1
SCHEMBL21705754 0.81 KMT2A (0.50) HTR4SLC29A1
SCHEMBL21705612 0.80 CA1 (0.46) HTR4ACKR3CHRM1
SCHEMBL21705213 0.80 KMT2A (0.52) HTR4
SCHEMBL21783770 0.78 HPGD (0.41) HTR4SLC29A1
SCHEMBL21783771 0.78 KMT2A (0.39) HTR4SLC29A1
SCHEMBL21705199 0.78 ATM (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200050105-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-02-13 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-20200050105-A1 RESIST COMPOSITION AND PATTERNING PROCESS HNRNPU, HNRNPR, ZFR HTR4 849/4885RXFP1 2249/4885ACKR3 1856/4885

“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.