SCHEMBL4478554

SCHEMBL4478554

CCOC(=O)Cn1c(C)cc2cc(O)ccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
KDM4E B2RXH2 5/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
GAA P10253 2/20 0.57
RAB9A P51151 1/20 0.54
F2 P00734 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
TSHR P16473 3/20 0.46
LMNA P02545 1/20 0.45
HSD17B10 Q99714 4/20 0.44
HK1 P19367 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
KLK6 Q92876 1/20 0.43
HPGD P15428 2/20 0.42
SAE1 Q9UBE0 1/20 0.42

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
SCHEMBL6720410 0.87 ALDH1A1 (0.55) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL18733287 0.85 ABCB11 (0.51) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL1598783 0.84 ALDH1A1 (0.56) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL5190384 0.84 RAB9A (0.53) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL20037044 0.84 TDP1 (0.65) ALDH1A1KDM4ESMN1; SMN2RAB9ATDP1
SCHEMBL10277241 0.84 RAB9A (0.53) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL4465081 0.83 MAPT (0.57) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL1779695 0.82 RAB9A (0.68) ALDH1A1KDM4EMEN1KMT2ARAB9A
SCHEMBL3571117 0.80 IRAK4 (0.49) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL30396580 0.77 F2 (0.45) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 US disclosed
US-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 US disclosed
US-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 US disclosed
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators ELI LILLY AND COMPANY 2006-09-28 US disclosed
US-20060166983-A1 Indole derivatives as ppar modulators ELI LILLY AND COMPANY 2006-07-27 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 (2 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-20060166983-A1 Indole derivatives as ppar modulators PPARA, PPARD, PPARG ALDH1A1 1181/4885KDM4E 2086/4885MEN1 4670/4885
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators PPARG, PPARA, PPARD ALDH1A1 1182/4885KDM4E 2214/4885MEN1 4660/4885

“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.