SCHEMBL19214490

SCHEMBL19214490

COc1cc(OC)c(C(=O)N[C@H]2CC[C@H](NC(=O)c3cc(C(=O)NCCN(C)C)c(O)cc3O)CC2)cc1C(=O)N[C@H]1CC[C@H](NC(=O)c2cc(C(=O)NCCN(C)C)c(O)cc2O)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 2/20 0.49
GPR55 Q9Y2T6 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
APP P05067 3/20 0.44
MCHR1 Q99705 1/20 0.44
EHMT2 Q96KQ7 1/20 0.43
EHMT1 Q9H9B1 1/20 0.43
NPC1 O15118 1/20 0.43
HTR4 Q13639 3/20 0.42
RAD52 P43351 2/20 0.42
UHRF1 Q96T88 1/20 0.42
SMARCA2 P51531 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
SCHEMBL12444109 0.90 ALDH1A1 (0.53) ALDH1A1KMT2AGPR55KDM4EMEN1
SCHEMBL19445870 0.88 ALDH1A1 (0.68) ALDH1A1KMT2AGPR55KDM4EMEN1
SCHEMBL12515464 0.85 ALDH1A1 (0.48) ALDH1A1KMT2AGPR55KDM4EMEN1
SCHEMBL13973876 0.85 ALDH1A1 (0.48) ALDH1A1KMT2AGPR55KDM4EMEN1
SCHEMBL19445828 0.84 NPC1 (0.53) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL19445568 0.84 MAPK14 (0.38) ALDH1A1KMT2AGPR55KDM4ERAB9A
SCHEMBL19445652 0.84 MAPK14 (0.38) ALDH1A1KMT2AGPR55KDM4ERAB9A
SCHEMBL19445570 0.84 MAPK14 (0.38) ALDH1A1KMT2AGPR55KDM4ERAB9A
SCHEMBL19214493 0.84 ALDH1A1 (0.49) ALDH1A1KMT2AGPR55KDM4EMEN1
SCHEMBL13973796 0.82 ALDH1A1 (0.46) ALDH1A1KMT2AGPR55KDM4EMEN1

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-20170224640-A1 Compounds For Use In Treatment Of Mucositis INNOVATION PHARMACEUTICALS INC. 2017-08-10 US disclosed
US-20170224640-A1 Compounds For Use In Treatment Of Mucositis INNOVATION PHARMACEUTICALS INC. 2017-08-10 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-20170224640-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 ALDH1A1 1289/4885KMT2A 3256/4885GPR55 1671/4885

“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.