SCHEMBL1281987

SCHEMBL1281987

CC(C)(C)C1(CCCCOc2cccc(Cl)c2)CO1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
HRH3 Q9Y5N1 9/20 0.46
KCNH2 Q12809 1/20 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
MEN1 O00255 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
KDM4E B2RXH2 2/20 0.43
PPARG P37231 1/20 0.42
PPARD Q03181 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
SCHEMBL1282135 0.83 KCNA3 (0.50) DRD2DRD4
SCHEMBL11022311 0.82 HRH3 (0.49) KMT2AHRH3KCNH2LMNAMAPK1
SCHEMBL1282104 0.79 MAPT (0.45) KMT2AMAPK1SMN1; SMN2MEN1KDM4E
SCHEMBL10360969 0.79 KCNA3 (0.47) HRH3KCNH2LMNAMAPK1HTT
SCHEMBL6260288 0.75 KDM4E (0.51) HRH3LMNAMAPK1KDM4EPPARG
SCHEMBL8551026 0.75 KMT2A (0.73) KMT2AHRH3KCNH2LMNAMAPK1
SCHEMBL11297445 0.74 HRH3 (0.50) HRH3LMNAMAPK1KDM4EPPARG
SCHEMBL11296404 0.74 ABCB11 (0.64) KMT2AHRH3LMNAMAPK1KDM4E
SCHEMBL11022024 0.73 ABCB11 (0.49) HRH3LMNAMAPK1KDM4EPPARG
SCHEMBL7431046 0.73 ABCB11 (0.49) HRH3LMNAMAPK1KDM4EPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088660-A1 Antifungal 1,2,4-triazolyl Derivatives BASF SE (DE) 2012-04-12 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-20120088660-A1 Antifungal 1,2,4-triazolyl Derivatives ERG28, CYP51A1, DPM1 KMT2A 3034/4885HRH3 2858/4885KCNH2 2731/4885

“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.