SCHEMBL1286469

SCHEMBL1286469

CC(C)(C)C(O)(CCCCOc1cccc(Cl)c1)Cn1cncn1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
CYP3A4 P08684 1/20 0.57
TSHR P16473 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
KDM4E B2RXH2 3/20 0.43
ALOX15 P16050 1/20 0.41
HRH3 Q9Y5N1 3/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL1282665 0.87 ALDH1A1 (0.55) ALDH1A1CYP3A4TSHRKMT2AMEN1
SCHEMBL10391870 0.84 ALDH1A1 (0.68) ALDH1A1CYP3A4TSHRKMT2AMEN1
SCHEMBL10360988 0.83 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRKMT2AMEN1
SCHEMBL1286480 0.83 ALDH1A1 (0.60) ALDH1A1CYP3A4TSHRKMT2AMEN1
SCHEMBL9007847 0.82 ALDH1A1 (0.68) ALDH1A1CYP3A4TSHRKMT2AMEN1
SCHEMBL10768610 0.81 KMT2A (0.48) ALDH1A1CYP3A4TSHRKMT2AMEN1
SCHEMBL6478508 0.81 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRKMT2AMEN1
SCHEMBL1286485 0.81 ALDH1A1 (0.57) ALDH1A1CYP3A4TSHRKMT2AMEN1
SCHEMBL1283394 0.80 HRH3 (0.39) KMT2AMEN1KDM4EHRH3
SCHEMBL10392892 0.80 ALDH1A1 (0.61) ALDH1A1CYP3A4TSHRKMT2AMEN1

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 ALDH1A1 1943/4885CYP3A4 19/4885TSHR 3646/4885

“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.