SCHEMBL5120984

SCHEMBL5120984

COC(=O)c1cc(OC(C)C)n(Cc2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 1/20 0.46
MALT1 Q9UDY8 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.41
P2RY14 Q15391 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
SLC6A4 P31645 1/20 0.41
BRD4 O60885 1/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL5111923 0.84 HTR2A (0.60) SMN1; SMN2CYP1A2ALDH1A1HPGDGAA
SCHEMBL1739414 0.81 AURKA (0.38) ALDH1A1HPGDTSHRMEN1KMT2A
SCHEMBL28113595 0.81 HTR2A (0.39) SMN1; SMN2MALT1GAAP2RY14POLB
SCHEMBL20488594 0.80 SMN1; SMN2 (0.54) SMN1; SMN2CYP1A2MALT1MEN1KMT2A
SCHEMBL22054628 0.80 GAA (0.59) SMN1; SMN2CYP1A2ALDH1A1HPGDMEN1
SCHEMBL3202480 0.80 PPARG (0.53) SMN1; SMN2ALDH1A1MEN1KMT2ARAB9A
SCHEMBL24423881 0.79 SMN1; SMN2 (0.50) SMN1; SMN2CYP1A2MALT1ALDH1A1HPGD
SCHEMBL28339416 0.79 GRN (0.59) SMN1; SMN2CYP1A2MALT1MEN1KMT2A
SCHEMBL15056504 0.79 SMN1; SMN2 (0.43) SMN1; SMN2CYP1A2MALT1ALDH1A1MEN1
SCHEMBL5106653 0.78 SMN1; SMN2 (0.49) SMN1; SMN2CYP1A2ALDH1A1HPGDTSHR

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 SMN1; SMN2 3876/4885CYP1A2 655/4885MALT1 3821/4885

“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.