SCHEMBL10061379

SCHEMBL10061379

CNCc1ccc(/C=C2\CCC/C(=C(O)\C=C\c3ccc(OC(=O)C(N)C(C)C)cc3)C2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.39
FGFR1 P11362 6/20 0.37
CYP1A2 P05177 1/20 0.36
MMP8 P22894 1/20 0.35
MAPT P10636 2/20 0.34
PLAU P00749 1/20 0.34
PLAT P00750 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
MMP9 P14780 1/20 0.34
EGFR P00533 2/20 0.33
F2 P00734 1/20 0.33
ESR1 P03372 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
PTGS2 P35354 1/20 0.33
MMP13 P45452 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 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
Hydrochloric Acid SCHEMBL22817906 0.90 FGFR1 (0.42) PSMB5FGFR1CYP1A2MAPTPLAU
Hydrochloric Acid SCHEMBL22817905 0.90 FGFR1 (0.42) PSMB5FGFR1CYP1A2MAPTPLAU
SCHEMBL13341566 0.85 CYP1A2 (0.47) PSMB5FGFR1CYP1A2MAPTHPGD
SCHEMBL10061376 0.82 CYP2C9 (0.50) CYP1A2MMP8MAPTHPGDHTT
Hydrochloric Acid SCHEMBL30275700 0.81 FGFR1 (0.40) PSMB5FGFR1CYP1A2MAPTHPGD
SCHEMBL10061353 0.79 MMP8 (0.56) CYP1A2MMP8MAPTHPGDHTT
SCHEMBL10061389 0.79 FGFR1 (0.42) PSMB5FGFR1CYP1A2MAPTEGFR
SCHEMBL10080276 0.77 FGFR1 (0.63) PSMB5FGFR1CYP1A2MAPTHPGD
SCHEMBL10061383 0.74 FGFR1 (0.58) PSMB5FGFR1MAPTEGFRMEN1
SCHEMBL10061375 0.70 CCR6 (0.40) PSMB5FGFR1CYP1A2MAPTPLAU

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 PSMB5 1264/4885FGFR1 4281/4885CYP1A2 4526/4885

“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.