SCHEMBL5007339

SCHEMBL5007339

CCCc1cc(Cl)ccc1OCC(=O)OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.56
PTGDR2 Q9Y5Y4 3/20 0.54
PTGDR Q13258 2/20 0.54
PPARD Q03181 3/20 0.53
PPARG P37231 2/20 0.53
PPARA Q07869 2/20 0.53
F2 P00734 1/20 0.52
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
ALDH1A1 P00352 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TSHR P16473 1/20 0.47
PKM P14618 1/20 0.46

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
SCHEMBL4627361 0.87 PTGDR (0.58) PTGDR2PTGDRF2MAPTLMNA
SCHEMBL2945278 0.85 MAPT (0.70) PTGDR2PTGDRF2MAPTLMNA
SCHEMBL2944675 0.84 PTGDR (0.55) PTGDR2PTGDRF2MAPTLMNA
SCHEMBL5526708 0.84 HMGCR (0.60) HMGCRPTGDR2PTGDRPPARDPPARG
SCHEMBL5517727 0.83 HMGCR (0.56) HMGCRPTGDR2PTGDRPPARDPPARG
SCHEMBL23434716 0.82 F2 (0.53) PTGDR2PTGDRF2MAPTLMNA
SCHEMBL4626978 0.82 MAPT (0.65) PTGDR2PTGDRF2MAPTLMNA
SCHEMBL5004060 0.81 PTGDR (0.73) PTGDR2PTGDRMAPTLMNAALDH1A1
SCHEMBL4627039 0.81 PTGDR2 (0.52) PTGDR2PTGDRPPARDF2MAPT
2,4-Dichlorophenoxyacetic Acid, Methyl Ester SCHEMBL5004223 0.80 MAPT (0.70) PTGDR2PTGDRMAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7414063-B2 Inhibitors of Akt (protein kinase B) ELI LILLY AND COMPANY (US) 2008-08-19 US disclosed
US-20070043040-A1 Inhibitors of akt (protein kinase b) ELI LILLY AND COMPANY 2007-02-22 US disclosed
EP-1611105-A1 ISOQUINOLINE-5-SULFONIC ACID AMIDES AS INHIBITORS OF AKT (PROTEIN KINASE B) ELI LILLY AND COMPANY (US) 2006-01-04 EP disclosed
WO-2004094386-A1 ISOQUINOLINE-5-SULFONIC ACID AMIDES AS INHIBITORS OF AKT (PROTEIN KINASE B) ELI LILLY AND COMPANY (US) 2004-11-04 WO 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-20070043040-A1 Inhibitors of akt (protein kinase b) AKT1, AKT2, BRAF HMGCR 4247/4885PTGDR2 4128/4885PTGDR 4193/4885

“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.