SCHEMBL2126234

SCHEMBL2126234

CC(CC(=O)C(C)(C)C)Cc1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 2/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CNR1 P21554 1/20 0.40
RAB9A P51151 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.37
KCNJ6 P48051 1/20 0.37
KCNJ5 P48544 1/20 0.37
KCNJ3 P48549 1/20 0.37

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
SCHEMBL27910392 0.82 NPC1 (0.43) ALDH1A1NPC1PPARGPPARASMN1; SMN2
SCHEMBL28806458 0.82 PPARG (0.47) ALDH1A1NPC1PPARGPPARASMN1; SMN2
SCHEMBL8446184 0.76 ALDH1A1 (0.50) ALDH1A1NPC1RAB9AKMT2AKCNJ6
SCHEMBL27644397 0.75 PPARG (0.41) ALDH1A1NPC1PPARGPPARASMN1; SMN2
SCHEMBL14862584 0.74 SLC6A2 (0.47) ALDH1A1NPC1PPARGPPARASMN1; SMN2
SCHEMBL27555743 0.73 PPARG (0.48) ALDH1A1NPC1PPARGPPARASMN1; SMN2
SCHEMBL2125408 0.73 SLC6A2 (0.40) ALDH1A1NPC1PPARGPPARASMN1; SMN2
SCHEMBL8224139 0.72 SLC6A2 (0.48) ALDH1A1PPARGPPARASMN1; SMN2SLC6A2
SCHEMBL1454624 0.71 NPC1 (0.46) ALDH1A1NPC1PPARGPPARASMN1; SMN2
SCHEMBL14208222 0.71 PPARG (0.53) ALDH1A1NPC1PPARGPPARASMN1; SMN2

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-20120108422-A1 Antifungal 1,2,4-triazolyl Derivatives BASF SE (DE) 2012-05-03 US disclosed
EP-2443097-A1 ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES BASF SE (DE) 2012-04-25 EP disclosed
WO-2010146111-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-20120108422-A1 Antifungal 1,2,4-triazolyl Derivatives ERG28, CYP51A1, DPM1 ALDH1A1 1943/4885NPC1 1947/4885PPARG 3932/4885

“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.