SCHEMBL4211599

SCHEMBL4211599

CCOCOc1cc(C)ccc1C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
CYP3A4 P08684 1/20 0.47
LMNA P02545 5/20 0.47
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.42
ABCB1 P08183 3/20 0.41
CA9 Q16790 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
MAOB P27338 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL4276935 0.87 TSHR (0.62) TSHRCYP3A4LMNAMAPTSMN1; SMN2
SCHEMBL23804639 0.86 KDM4E (0.54) TSHRCYP3A4LMNAMAPTSMN1; SMN2
SCHEMBL4203948 0.83 MAPT (0.47) TSHRCYP3A4LMNAMAPTSMN1; SMN2
SCHEMBL23267707 0.81 SMN1; SMN2 (0.56) TSHRCYP3A4LMNAMAPTSMN1; SMN2
SCHEMBL22394709 0.80 RXRA (0.49) TSHRLMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL13968771 0.80 GAA (0.49) TSHRCYP3A4LMNAMAPTSMN1; SMN2
SCHEMBL15296804 0.79 HTT (0.50) TSHRCYP3A4LMNAMAPTSMN1; SMN2
SCHEMBL18791370 0.78 PTGDR2 (0.56) TSHRLMNAMAPTSMN1; SMN2L3MBTL1
SCHEMBL6121031 0.75 FLT3 (0.47) TSHRCYP3A4LMNAMAPTSMN1; SMN2
SCHEMBL11274520 0.75 GAA (0.54) CYP3A4LMNAMAPTSMN1; SMN2L3MBTL1

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-20090156646-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
EP-1921066-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-05-14 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-20090156646-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF GNRHR, PGR, MC1R TSHR 523/4885CYP3A4 2021/4885LMNA 448/4885

“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.