SCHEMBL8014275

SCHEMBL8014275

CC(C)(C(=O)I)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.61
KMT2A Q03164 1/20 0.61
CYP2C19 P33261 1/20 0.48
HIF1A Q16665 1/20 0.48
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
KCNN4 O15554 1/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 2/20 0.43
ALOX15 P16050 1/20 0.43
ESR1 P03372 2/20 0.41

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
SCHEMBL6571 0.80 MAPT (0.67) MAPTKMT2ACYP2C19HIF1AHDAC3
SCHEMBL25049822 0.80 MAPT (0.67) MAPTKMT2ACYP2C19HIF1AHDAC3
SCHEMBL27514359 0.78 MAPT (0.64) MAPTKMT2ACYP2C19HIF1AHDAC3
SCHEMBL6968554 0.78 MAPT (0.64) MAPTKMT2ACYP2C19HIF1AHDAC3
SCHEMBL27888039 0.78 MAPT (0.64) MAPTKMT2ACYP2C19HIF1AHDAC3
Methyl Alcohol SCHEMBL5282426 0.78 MAPT (0.64) MAPTKMT2ACYP2C19HIF1AHDAC3
Hydrogen Peroxide SCHEMBL1652477 0.78 MAPT (0.64) MAPTKMT2ACYP2C19HIF1AHDAC3
Hydrochloric Acid SCHEMBL8899483 0.78 MAPT (0.64) MAPTKMT2ACYP2C19HIF1AHDAC3
SCHEMBL29033303 0.78 MAPT (0.64) MAPTKMT2ACYP2C19HIF1AHDAC3
SCHEMBL343807 0.78 MAPT (0.64) MAPTKMT2ACYP2C19HIF1AHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009073713-A1 OXIMYL MACROCYCLIC DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2009-06-11 WO disclosed
US-20080146808-A1 AZABICYCLO-OCTANE INHIBITORS OF IAP GENENTECH, INC. (US) 2008-06-19 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-20080146808-A1 AZABICYCLO-OCTANE INHIBITORS OF IAP XIAP, BIRC3, BIRC2 MAPT 4738/4885KMT2A 3778/4885CYP2C19 4780/4885

“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.