SCHEMBL16712944

SCHEMBL16712944

COc1cccc(-c2cc(C(C)C)ccc2OC(C)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.50
AKR1C2 P52895 3/20 0.50
GAPDH P04406 2/20 0.49
BACE1 P56817 1/20 0.49
AKR1C4 P17516 1/20 0.47
AKR1C1 Q04828 1/20 0.47
CTSA P10619 5/20 0.44
SYK P43405 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HSP90AA1 P07900 3/20 0.43
HSP90AB1 P08238 3/20 0.43
DHODH Q02127 1/20 0.42
ACACB O00763 1/20 0.42

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
SCHEMBL16710317 0.90 CTSA (0.49) AKR1C3AKR1C2GAPDHBACE1AKR1C4
SCHEMBL6934499 0.85 HDAC4 (0.50) AKR1C3AKR1C2AKR1C4AKR1C1CTSA
SCHEMBL18084777 0.84 AKR1C3 (0.46) AKR1C3AKR1C2BACE1CTSASYK
SCHEMBL18087562 0.83 MAOB (0.53) GAPDHBACE1SYKHDAC4HDAC2
SCHEMBL28960702 0.82 BACE1 (0.67) GAPDHBACE1SYKHDAC4HDAC2
SCHEMBL16712938 0.82 SYK (0.51) GAPDHBACE1SYKHDAC4HDAC2
SCHEMBL24313994 0.81 HTT (0.56) GAPDHBACE1SYKHSP90AA1HSP90AB1
SCHEMBL18084823 0.80 GAPDH (0.49) GAPDHBACE1CTSASYKHDAC4
SCHEMBL16712945 0.78 PTPN5 (0.52) AKR1C3AKR1C2AKR1C4AKR1C1HDAC4
SCHEMBL16710322 0.78 LMNA (0.50) AKR1C3AKR1C2AKR1C4AKR1C1

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
US-10689344-B2 Biphenylamide derivative Hsp90 inhibitors UNIVERSITY OF KANSAS (US) 2020-06-23 US disclosed
WO-2015070091-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS THE UNIVERSITY OF KANSAS (US) 2015-05-14 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-10689344-B2 Biphenylamide derivative Hsp90 inhibitors HSP90AB1, HSP90AA1, HSP90AB2P AKR1C3 1964/4885AKR1C2 2289/4885GAPDH 571/4885

“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.