SCHEMBL1282836

SCHEMBL1282836

CC(C)(C)C(O)CCCCOc1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.52
MMP3 P08254 1/20 0.52
KDM4E B2RXH2 2/20 0.49
KMT2A Q03164 2/20 0.49
KCNH2 Q12809 1/20 0.49
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
HRH3 Q9Y5N1 8/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL10633511 0.82 CASR (0.51) KDM4EKMT2AKCNH2LMNAMAPK1
SCHEMBL1282522 0.82 KCNA3 (0.55) MMP1MMP3LMNA
SCHEMBL10893152 0.80 KCNA3 (0.53) MMP1MMP3LMNA
SCHEMBL8813381 0.77 KDM4E (0.52) KDM4EKMT2AKCNH2DRD2DRD4
SCHEMBL1281996 0.77 MAPT (0.51) KDM4EKMT2AMAPK1SMN1; SMN2MEN1
SCHEMBL10202959 0.75 KMT2A (0.56) KDM4EKMT2AKCNH2DRD2DRD4
SCHEMBL8551026 0.75 KMT2A (0.73) KDM4EKMT2AKCNH2DRD2DRD4
SCHEMBL15178204 0.75 KMT2A (0.52) KDM4EKMT2AKCNH2DRD2DRD4
SCHEMBL9774806 0.74 DRD2 (0.60) KDM4EKMT2AKCNH2DRD2DRD4
SCHEMBL1283620 0.74 KDM4E (0.56) KDM4EKMT2AKCNH2HRH3PPARG

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
EP-2443098-A1 ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES BASF SE (DE) 2012-04-25 EP disclosed
US-20120088660-A1 Antifungal 1,2,4-triazolyl Derivatives BASF SE (DE) 2012-04-12 US disclosed
WO-2010146112-A1 ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES BASF SE (DE) 2010-12-23 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-20120088660-A1 Antifungal 1,2,4-triazolyl Derivatives ERG28, CYP51A1, DPM1 MMP1 3785/4885MMP3 2871/4885KDM4E 1829/4885

“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.