SCHEMBL16712928

SCHEMBL16712928

COc1ccc(C(=O)Cl)cc1-c1cccc(OC(C)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.49
HSP90AB1 P08238 2/20 0.49
SYK P43405 1/20 0.48
GAPDH P04406 2/20 0.46
LMNA P02545 2/20 0.43
CYP3A4 P08684 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
BACE1 P56817 2/20 0.43
TSHR P16473 1/20 0.43
MAOB P27338 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 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
SCHEMBL18084829 0.92 GAPDH (0.49) HSP90AA1HSP90AB1SYKGAPDHLMNA
SCHEMBL16712938 0.90 SYK (0.51) HSP90AA1HSP90AB1SYKGAPDHLMNA
SCHEMBL6934114 0.89 HSP90AA1 (0.58) HSP90AA1HSP90AB1SYKLMNACYP3A4
SCHEMBL16712929 0.85 BACE1 (0.56) SYKLMNABACE1TSHRHSD17B10
SCHEMBL18087565 0.83 LMNA (0.58) HSP90AA1HSP90AB1SYKGAPDHLMNA
SCHEMBL16710317 0.82 CTSA (0.49) HSP90AA1HSP90AB1GAPDHLMNACYP3A4
SCHEMBL16712924 0.81 PDE4D (0.54) HSP90AA1HSP90AB1LMNAHDAC4HDAC2
SCHEMBL7037049 0.81 GAPDH (0.52) GAPDHLMNACYP3A4BACE1MAOB
SCHEMBL16712923 0.81 LMNA (0.51) HSP90AA1HSP90AB1SYKLMNACYP3A4
SCHEMBL20402797 0.80 ALOX5 (0.50) HSP90AA1HSP90AB1SYKGAPDHLMNA

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-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS UNIVERSITY OF KANSAS (US) 2016-09-22 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-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885SYK 3301/4885

“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.