SCHEMBL278552

SCHEMBL278552

CCCOc1ccc(OCCC)c(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
MAPK1 P28482 2/20 0.42
GAA P10253 4/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
TP53 P04637 2/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41

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
SCHEMBL10458624 0.84 S1PR1 (0.41) LMNAHTTMAPK1GAAALDH1A1
SCHEMBL986849 0.82 KDM4E (0.49) LMNAHTTMAPK1GAAALDH1A1
SCHEMBL278535 0.81 NQO1 (0.48) LMNAGAAALDH1A1KDM4EKMT2A
SCHEMBL9150850 0.81 ALDH1A1 (0.53) LMNAHTTGAAALDH1A1KDM4E
SCHEMBL7717554 0.81 PTGDR2 (0.60) LMNAHTTMAPK1GAAALDH1A1
SCHEMBL23665177 0.81 HTR2C (0.49) LMNAHTTMAPK1GAAALDH1A1
SCHEMBL13334956 0.81 PTPN7 (0.45) GAAKMT2AMAPTMEN1TP53
SCHEMBL9149513 0.81 ALDH1A1 (0.48) LMNAHTTMAPK1GAAALDH1A1
SCHEMBL21689793 0.81 PTGS1 (0.41) LMNAHTTMAPK1GAAALDH1A1
SCHEMBL14850370 0.79 PPARA (0.44) LMNAHTTMAPK1GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133898-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-13 US disclosed
US-8133898-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-13 US disclosed
US-20100137310-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-03 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 (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-20100137310-A1 RENIN INHIBITORS REN, ACE, PRSS3 LMNA 1313/4885HTT 4023/4885MAPK1 2740/4885

“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.