SCHEMBL16712948

SCHEMBL16712948

COc1ccc(C(C)C)cc1-c1ccc(OC(C)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.56
HPGD P15428 1/20 0.47
XBP1 P17861 1/20 0.47
ERN1 O75460 1/20 0.45
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44
TUBB2B Q9BVA1 1/20 0.44
TUBB1 Q9H4B7 1/20 0.44
CTSA P10619 7/20 0.43

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 0.85 CTSA (0.49) BACE1HPGDXBP1CTSA
SCHEMBL16712942 0.84 BACE1 (0.46) BACE1HPGDERN1CTSAHSD17B10
SCHEMBL9258765 0.82 ERN1 (0.53) ERN1CTSA
SCHEMBL18087592 0.81 BACE1 (0.60) BACE1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16712929 0.81 BACE1 (0.56) BACE1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16712954 0.79 ERN1 (0.51) ERN1CTSA
SCHEMBL24625752 0.79 HSD17B10 (0.62) BACE1TSHRMAPK1HSD17B10
SCHEMBL487192 0.78 HSD17B10 (0.59) HPGDXBP1MAPTTSHRHSD17B10
SCHEMBL16712944 0.77 AKR1C3 (0.50) BACE1CTSA
SCHEMBL21377287 0.77 TNFSF11 (0.51) HPGDXBP1TSHRKMT2A

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
EP-3066072-B1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS UNIV KANSAS (US) 2021-11-03 EP disclosed
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 BACE1 3079/4885HPGD 812/4885XBP1 75/4885

“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.