SCHEMBL1282522

SCHEMBL1282522

CC(C)(C)C(O)CCCCOc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.55
TDP1 Q9NUW8 1/20 0.46
MMP1 P03956 1/20 0.46
MMP3 P08254 1/20 0.46
LTA4H P09960 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RECQL P46063 1/20 0.46
PPARA Q07869 1/20 0.45

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
SCHEMBL10893152 0.98 KCNA3 (0.53) KCNA3TDP1MMP1MMP3LTA4H
SCHEMBL1282836 0.82 MMP1 (0.52) MMP1MMP3LMNA
SCHEMBL6247219 0.80 KCNA3 (0.61) KCNA3TDP1LTA4HHDAC1HDAC2
SCHEMBL7804282 0.80 KCNA3 (0.61) KCNA3TDP1LTA4HHDAC1HDAC2
SCHEMBL17201876 0.79 KCNA3 (0.59) KCNA3TDP1LTA4HHDAC1HDAC2
SCHEMBL11276637 0.78 LMNA (0.62) LMNACYP2D6L3MBTL1
SCHEMBL1282702 0.78 L3MBTL1 (0.51) TDP1PPARACYP2D6L3MBTL1
SCHEMBL1282528 0.78 L3MBTL1 (0.55) TDP1ALDH1A1RECQLCYP2D6L3MBTL1
SCHEMBL9635979 0.76 L3MBTL1 (0.54) TDP1ALDH1A1RECQLCYP2D6L3MBTL1
SCHEMBL11580701 0.76 KCNA3 (0.67) KCNA3TDP1LTA4HHDAC1HDAC2

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 KCNA3 1684/4885TDP1 3127/4885MMP1 3785/4885

“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.