SCHEMBL5111923

SCHEMBL5111923

COC(=O)c1cc(OCc2ccccc2)n(Cc2ccccc2)n1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.60
HTR2C P28335 1/20 0.60
SLC6A4 P31645 1/20 0.60
CNR1 P21554 3/20 0.48
ACHE P22303 3/20 0.48
CNR2 P34972 3/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
NOTUM Q6P988 1/20 0.47
CYP1A2 P05177 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PTGER1 P34995 6/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
BRD4 O60885 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL14924193 0.88 HTR2A (0.54) HTR2AHTR2CSLC6A4CNR1ACHE
SCHEMBL631596 0.84 HPGD (0.50) HTR2AHTR2CSLC6A4LMNAHPGD
SCHEMBL20488594 0.84 SMN1; SMN2 (0.54) CYP1A2SMN1; SMN2BRD4GAAMAPT
SCHEMBL5120984 0.84 SMN1; SMN2 (0.46) HTR2AHTR2CSLC6A4HPGDCYP1A2
SCHEMBL28339416 0.83 GRN (0.59) CYP1A2SMN1; SMN2BRD4GAAMAPT
SCHEMBL22054628 0.81 GAA (0.59) HPGDCYP1A2SMN1; SMN2PTGER1ALDH1A1
SCHEMBL5113571 0.81 HPGD (0.47) HTR2AHTR2CSLC6A4LMNAHPGD
SCHEMBL24423881 0.80 SMN1; SMN2 (0.50) HPGDCYP1A2SMN1; SMN2BRD4ALDH1A1
SCHEMBL15056504 0.80 SMN1; SMN2 (0.43) CYP1A2SMN1; SMN2BRD4ALDH1A1GAA
SCHEMBL13373542 0.80 SMN1; SMN2 (0.56) LMNASMN1; SMN2ALDH1A1GAAMAPT

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-20080051418-A1 Arylalkanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-28 US disclosed
EP-1829863-A1 ARYLALKANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-09-05 EP 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-20080051418-A1 Arylalkanoic Acid Derivative INSR, NPY1R, GPR119 HTR2A 2880/4885HTR2C 2477/4885SLC6A4 1046/4885

“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.