SCHEMBL20364151

SCHEMBL20364151

C=C1CCC(=O)N1OC(=O)CCCC(=O)NCCOCCNC(=O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ POLB P06746 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL19726655 0.97 SMN1; SMN2 (0.44) HPGDHTTSMN1; SMN2MEN1KMT2A
SCHEMBL19726654 0.92 HPGD (0.44) HPGDHTTSMN1; SMN2MEN1KMT2A
SCHEMBL19732580 0.91 HPGD (0.43) HPGDHTTSMN1; SMN2MEN1KMT2A
SCHEMBL17885894 0.89 SMN1; SMN2 (0.48) HPGDHTTSMN1; SMN2MEN1KMT2A
SCHEMBL20008742 0.83 SMN1; SMN2 (0.48) HPGDHTTSMN1; SMN2MEN1KMT2A
SCHEMBL14074488 0.82 NAMPT (0.38) HPGDHTTSMN1; SMN2MEN1KMT2A
SCHEMBL25672072 0.81 SMN1; SMN2 (0.41) HPGDHTTSMN1; SMN2POLBHSD17B10
SCHEMBL20365824 0.80 SMN1; SMN2 (0.46) HPGDHTTSMN1; SMN2MEN1KMT2A
SCHEMBL19732579 0.80 SMN1; SMN2 (0.46) HPGDHTTSMN1; SMN2MEN1KMT2A
SCHEMBL17175680 0.79 HPGD (0.39) HPGDHTTSMN1; SMN2TSHR

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-20180194766-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. 2018-07-12 — — 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-20180194766-A1 MACROCYCLIC LIGANDS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF TFRC, CLTC, SLC39A3 HPGD 2327/4885HTT 2150/4885SMN1; SMN2 3628/4885

“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.

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