SCHEMBL10061392

SCHEMBL10061392

COc1cc(/C=C/C(=O)C2CCC/C(=C\c3ccc(OC(=O)C(N)CCCCN)c(CO)c3)C2=O)ccc1OC(=O)C(N)CCCCN

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 11/20 0.44
PSMB5 P28074 1/20 0.39
NPC1 O15118 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
TOP2A P11388 2/20 0.34
HPGD P15428 2/20 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
SCHEMBL608845 0.95 FGFR1 (0.47) FGFR1PSMB5NPC1MEN1KMT2A
SCHEMBL608846 0.95 FGFR1 (0.47) FGFR1PSMB5NPC1MEN1KMT2A
Lysine SCHEMBL16061827 0.92 FGFR1 (0.44) FGFR1PSMB5NPC1MEN1KMT2A
SCHEMBL608515 0.84 FGFR1 (0.34) FGFR1PSMB5NPC1
SCHEMBL608516 0.84 FGFR1 (0.34) FGFR1PSMB5NPC1
SCHEMBL626166 0.81 PSMB5 (0.58) FGFR1PSMB5NPC1MEN1KMT2A
SCHEMBL626167 0.81 PSMB5 (0.58) FGFR1PSMB5NPC1MEN1KMT2A
SCHEMBL13341572 0.81 PSMB5 (0.49) FGFR1PSMB5NPC1MEN1KMT2A
SCHEMBL10061382 0.80 CCR6 (0.39) NPC1KMT2AHPGD
SCHEMBL18569805 0.78 MEN1 (0.51) FGFR1NPC1MEN1KMT2AALDH1A1

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-20120040976-A1 SMALL MOLECULE IMMUNOMODULATORS FOR ALZHEIMER'S DISEASE HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2012-02-16 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-20120040976-A1 SMALL MOLECULE IMMUNOMODULATORS FOR ALZHEIMER'S DISEASE L1CAM, LY96, GMFG FGFR1 4281/4885PSMB5 1264/4885NPC1 1545/4885

“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.