SCHEMBL16712950

SCHEMBL16712950

COc1ccc(C(C)C)cc1-c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSA P10619 3/20 0.48
ERN1 O75460 3/20 0.48
CASR P41180 2/20 0.45
TSHR P16473 1/20 0.44
DHFR P00374 1/20 0.41
MAPT P10636 1/20 0.41
CETP P11597 1/20 0.41
AGPAT2 O15120 1/20 0.41
FYN P06241 1/20 0.41
PIM1 P11309 1/20 0.41
HDAC8 Q9BY41 2/20 0.40
HDAC4 P56524 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40

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
SCHEMBL9258765 0.93 ERN1 (0.53) CTSAERN1CASRDHFRFYN
SCHEMBL9254425 0.92 ERN1 (0.49) CTSAERN1CASRTSHRDHFR
SCHEMBL16712942 0.85 BACE1 (0.46) CTSAERN1CASRFYNPIM1
SCHEMBL18084776 0.85 CASR (0.46) CTSAERN1CASRDHFRFYN
SCHEMBL16712954 0.83 ERN1 (0.51) CTSAERN1CASRFYN
SCHEMBL11951612 0.83 CASR (0.53) CTSAERN1CASRFYNHDAC8
SCHEMBL16710318 0.83 PDE4B (0.49) CTSATSHRMAPTHDAC8HDAC4
SCHEMBL8940819 0.82 HDAC4 (0.50) ERN1CASRCETPFYNHDAC8
SCHEMBL2006306 0.81 ADRB2 (0.52) CTSAERN1CASRAGPAT2
SCHEMBL5236993 0.81 ADRB2 (0.52) CTSAERN1CASRAGPAT2

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 CTSA 2610/4885ERN1 2774/4885CASR 4883/4885

“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.