SCHEMBL135250

SCHEMBL135250

CC(C)(C)c1c(CCC(=O)O)ccc(O)c1-n1nc2ccccc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
POLB P06746 1/20 0.36
KEAP1 Q14145 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
HDAC3 O15379 1/20 0.35
MAPK1 P28482 1/20 0.35
ADRA1A P35348 1/20 0.35
HDAC4 P56524 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC1 Q13547 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3416179 0.82 ALDH1A1 (0.44) LMNAL3MBTL1KDM4E
SCHEMBL6464710 0.78 KDM4E (0.40) PPARGPPARAPOLBNPC1RAB9A
SCHEMBL55627 0.75 POLB (0.47) NR1H4POLBKEAP1NPSR1FFAR1
SCHEMBL30337061 0.75 POLB (0.47) NR1H4POLBKEAP1NPSR1FFAR1
SCHEMBL8640100 0.75 NR1H4 (0.42) HDAC6PPARGPPARANR1H4POLB
SCHEMBL8835025 0.75 NR1H4 (0.37) HDAC6PPARGPPARANR1H4POLB
SCHEMBL7696202 0.75 NPC1 (0.40) HDAC6PPARGPPARANR1H4POLB
SCHEMBL7199140 0.75 PPARG (0.44) HDAC6PPARGPPARANR1H4NPSR1
Methane SCHEMBL9285119 0.74 POLB (0.46) NR1H4POLBKEAP1NPSR1FFAR1
SCHEMBL5846684 0.73 NPC1 (0.44) PPARGPPARAPOLBNPC1RAB9A

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-20120058974-A1 Composition comprising pesticide and benzotriazole UV absorbers BASF SE (DE) 2012-03-08 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-20120058974-A1 Composition comprising pesticide and benzotriazole UV absorbers DDT, CRY1, PAH HDAC6 1570/4885PPARG 1157/4885PPARA 1443/4885

“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.