SCHEMBL19940163

SCHEMBL19940163

CNC1CCC(NC(=O)c2cc(C(=O)NC3CCC(NC(=O)c4cc(C(C)=O)c(OCCCCCN)cc4OCCCCCN)CC3)c(OCCC(C)C)cc2OCCC(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.44
▸ CNR1 P21554 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ IDH1 O75874 3/20 0.37
▸ GPR119 Q8TDV5 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMYD3 Q9H7B4 1/20 0.34

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
SCHEMBL19940160 0.81 ALDH1A1 (0.37) CNR2CNR1ALDH1A1KDM4EHTT
SCHEMBL12515246 0.77 ALDH1A1 (0.51) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL19445684 0.77 HTT (0.46) CNR2CNR1ALDH1A1POLBIDH1
SCHEMBL12514989 0.76 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL10268065 0.75 MAPK14 (0.41) CNR2ALDH1A1POLBKDM4EMEN1
SCHEMBL12515253 0.75 HTR4 (0.57) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL12515350 0.75 MAPK14 (0.41) CNR2ALDH1A1POLBKDM4EMEN1
SCHEMBL12514986 0.74 ALDH1A1 (0.48) ALDH1A1POLBKDM4EMEN1MAPT
SCHEMBL12518639 0.74 ALDH1A1 (0.48) ALDH1A1POLBKDM4EMEN1MAPT
SCHEMBL19445831 0.72 ALDH1A1 (0.42) ALDH1A1KDM4EMEN1MAPTKMT2A

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 CNR2 3195/4885CNR1 3769/4885ALDH1A1 899/4885

“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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