SCHEMBL21082340

SCHEMBL21082340

CCC(=O)NCCn1ccc(=O)c(OCc2ccccc2)c1C

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ HPGD P15428 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ NPC1 O15118 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.56
▸ MAOB P27338 2/20 0.47
▸ MTNR1A P48039 3/20 0.43
▸ MTNR1B P49286 2/20 0.43
▸ TP53 P04637 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42

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
SCHEMBL29243860 0.91 HTT (0.65) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL21082280 0.89 MEN1 (0.64) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL8102334 0.87 HTT (0.59) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL19899411 0.85 HTT (0.59) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL3358984 0.82 HTT (0.75) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL8106191 0.81 HTT (0.70) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL3357703 0.81 HTT (0.73) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL20382948 0.80 HTT (0.68) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL20382958 0.80 HTT (0.71) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL9511604 0.80 HTT (0.58) HTTSMN1; SMN2MEN1ALDH1A1HPGD

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-20190169126-A1 POLYMERIC METAL CHELATING COMPOSITIONS AND METHODS OF PREPARING SAME FOR CONTROLLING GROWTH AND ACTIVITIES OF LIVING CELLS AND ORGANISMS CHELATION PARTNERS INCORPORATED (CA) 2019-06-06 — — 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-20190169126-A1 POLYMERIC METAL CHELATING COMPOSITIONS AND METHODS OF PREPARING SAME FOR CONTROLLING GROWTH AND ACTIVITIES OF LIVING CELLS AND ORGANISMS PICALM, HMBS, TFRC HTT 3362/4885SMN1; SMN2 2683/4885MEN1 1739/4885

“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.

Send feedback