SCHEMBL19940160

SCHEMBL19940160

CNCCCCCCNC(=O)c1cc(C(=O)NCCCCCCNC(=O)c2cc(C(C)=O)c(OCCC(C)C)cc2OCCC(C)C)c(OCCCCCN)cc1OCCCCCN

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PAOX Q6QHF9 2/20 0.35
▸ HPGD P15428 1/20 0.34
▸ FOLH1 Q04609 4/20 0.34
▸ HDAC3 O15379 3/20 0.34
▸ HDAC1 Q13547 3/20 0.34
▸ NR1H4 Q96RI1 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.34
▸ SCN8A Q9UQD0 1/20 0.33
▸ SCN10A Q9Y5Y9 1/20 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
SCHEMBL19945144 0.89 ALDH1A1 (0.35) ALDH1A1CNR1CNR2HTTL3MBTL1
SCHEMBL19219791 0.84 ALDH1A1 (0.38) ALDH1A1CNR1CNR2HTTL3MBTL1
SCHEMBL19940163 0.81 CNR2 (0.44) ALDH1A1CNR1CNR2HTTKDM4E
SCHEMBL85885 0.80 MTNR1A (0.39) ALDH1A1CNR1CNR2HTTL3MBTL1
SCHEMBL21864682 0.80 MTNR1A (0.39) ALDH1A1CNR1CNR2HTTL3MBTL1
SCHEMBL11947670 0.80 MTNR1A (0.39) ALDH1A1CNR1CNR2HTTL3MBTL1
SCHEMBL16284392 0.80 MTNR1A (0.39) ALDH1A1CNR1CNR2HTTL3MBTL1
SCHEMBL14295932 0.80 MTNR1A (0.39) ALDH1A1CNR1CNR2HTTL3MBTL1
SCHEMBL10198852 0.73 MTNR1A (0.46) ALDH1A1HTTKDM4E
SCHEMBL12444086 0.72 MEN1 (0.45) ALDH1A1HPGDHDAC3HDAC1

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-20180064664-A1 Compounds For Use In Treatment of Mucositis POLYMEDIX, INC. 2018-03-08 — — 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-20180064664-A1 Compounds For Use In Treatment of Mucositis MUC1, FUT6, SI ALDH1A1 899/4885CNR1 3769/4885CNR2 3195/4885

“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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