SCHEMBL10061375

SCHEMBL10061375

CC(C)C(N)C(=O)Oc1ccc(/C=C/C(=O)C2CCC/C(=C\c3ccc(OC(=O)C(N)C(C)C)cc3)C2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 2/20 0.40
PSMB5 P28074 1/20 0.38
ACHE P22303 2/20 0.38
PTGS2 P35354 2/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
KMT2A Q03164 3/20 0.37
ESR1 P03372 1/20 0.35
CYP1A2 P05177 1/20 0.34
HSP90AA1 P07900 1/20 0.34
FGFR1 P11362 1/20 0.34
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PLAU P00749 1/20 0.32
PLAT P00750 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL624650 0.94 ACHE (0.47) CCR6PSMB5ACHEPTGS2NPC1
SCHEMBL610043 0.94 ACHE (0.47) CCR6PSMB5ACHEPTGS2NPC1
SCHEMBL626166 0.84 PSMB5 (0.58) PSMB5NPC1KMT2AFGFR1MAPT
SCHEMBL626167 0.84 PSMB5 (0.58) PSMB5NPC1KMT2AFGFR1MAPT
SCHEMBL10061382 0.83 CCR6 (0.39) CCR6ACHEPTGS2NPC1RAB9A
SCHEMBL610174 0.83 PSMB5 (0.43) CCR6PSMB5ACHEPTGS2NPC1
SCHEMBL610173 0.83 PSMB5 (0.43) CCR6PSMB5ACHEPTGS2NPC1
SCHEMBL609690 0.80 ACHE (0.43) CCR6ACHEPTGS2NPC1RAB9A
SCHEMBL610609 0.78 CYP2C9 (0.50) ACHEPTGS2RAB9AKMT2AESR1
SCHEMBL610608 0.78 CYP2C9 (0.50) ACHEPTGS2RAB9AKMT2AESR1

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 3 patents. 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
US-20120040976-A1 SMALL MOLECULE IMMUNOMODULATORS FOR ALZHEIMER'S DISEASE HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2012-02-16 US disclosed
WO-2010068935-A2 SMALL MOLECULE IMMUNOMODULATORS FOR ALZHEIMER'S DISEASE HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2010-06-17 WO 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 CCR6 103/4885PSMB5 1264/4885ACHE 18/4885

“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.