SCHEMBL16712929

SCHEMBL16712929

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.56
HSD17B10 Q99714 1/20 0.49
TSHR P16473 2/20 0.46
SYK P43405 3/20 0.45
AURKB Q96GD4 2/20 0.45
INCENP Q9NQS7 2/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
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

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
SCHEMBL8891409 0.88 BACE1 (0.54) BACE1SYKAURKBINCENPKMT2A
SCHEMBL24625752 0.87 HSD17B10 (0.62) BACE1HSD17B10TSHRSYKAURKB
SCHEMBL16712928 0.85 HSP90AA1 (0.49) BACE1HSD17B10TSHRSYKMEN1
SCHEMBL16712926 0.82 POLB (0.49) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL18087592 0.81 BACE1 (0.60) BACE1HSD17B10SYKMEN1KMT2A
SCHEMBL16712923 0.81 LMNA (0.51) TSHRSYKAURKBINCENPKMT2A
SCHEMBL16712948 0.81 BACE1 (0.56) BACE1HSD17B10TSHRMEN1KMT2A
SCHEMBL5687086 0.78 HSD17B10 (0.70) HSD17B10TSHRMEN1KMT2AADORA3
SCHEMBL16712938 0.77 SYK (0.51) BACE1HSD17B10TSHRSYKMEN1
SCHEMBL1808274 0.77 TSHR (0.63) TSHRGAAMAPTALDH1A1

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 BACE1 3079/4885HSD17B10 1379/4885TSHR 2513/4885

“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.