SCHEMBL19945144

SCHEMBL19945144

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.35
▸ CNR2 P34972 2/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HDAC3 O15379 2/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ BCHE P06276 1/20 0.31
▸ FOLH1 Q04609 4/20 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
SCHEMBL19219791 0.96 ALDH1A1 (0.38) ALDH1A1CNR2CNR1HTTL3MBTL1
SCHEMBL19940160 0.89 ALDH1A1 (0.37) ALDH1A1CNR2CNR1HTTL3MBTL1
SCHEMBL21864682 0.77 MTNR1A (0.39) ALDH1A1CNR2CNR1HTTL3MBTL1
SCHEMBL11947670 0.77 MTNR1A (0.39) ALDH1A1CNR2CNR1HTTL3MBTL1
SCHEMBL16284392 0.77 MTNR1A (0.39) ALDH1A1CNR2CNR1HTTL3MBTL1
SCHEMBL14295932 0.77 MTNR1A (0.39) ALDH1A1CNR2CNR1HTTL3MBTL1
SCHEMBL85885 0.77 MTNR1A (0.39) ALDH1A1CNR2CNR1HTTL3MBTL1
SCHEMBL10288012 0.74 CYP3A4 (0.43) ALDH1A1HTTL3MBTL1HPGDKDM4E
SCHEMBL10288013 0.73 MEN1 (0.40) ALDH1A1HTTHPGDKDM4ECYP3A4
SCHEMBL19940163 0.71 CNR2 (0.44) ALDH1A1CNR2CNR1HTTKDM4E

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-10206894-B2 Compounds for use in treatment of mucositis INNOVATION PHARMACEUTICALS INC. (US) 2019-02-19 — — US disclosed
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 (2 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-10206894-B2 Compounds for use in treatment of mucositis MUC1, FUT6, SI ALDH1A1 899/4885CNR2 3195/4885CNR1 3769/4885
US-20180064664-A1 Compounds For Use In Treatment of Mucositis MUC1, FUT6, SI ALDH1A1 899/4885CNR2 3195/4885CNR1 3769/4885

“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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