SCHEMBL16992889

SCHEMBL16992889

[CH2]C(OCC)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.44
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
EPHX1 P07099 1/20 0.34
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GMNN O75496 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL27388164 0.88
SCHEMBL28234075 0.79 SHBG (0.39) SHBGEPHX1SMN1; SMN2TSHR
SCHEMBL27800077 0.78 SHBG (0.37) SHBGNPSR1EPHX1TP53
SCHEMBL16287469 0.76 SHBG (0.48) SHBGALDH1A1NPSR1EPHX1TP53
SCHEMBL14743720 0.76 SHBG (0.48) SHBGALDH1A1NPSR1EPHX1TP53
SCHEMBL28088063 0.76 SHBG (0.48) SHBGALDH1A1NPSR1EPHX1TP53
SCHEMBL11842539 0.76 SHBG (0.48) SHBGALDH1A1NPSR1EPHX1TP53
SCHEMBL6367519 0.76 SHBG (0.48) SHBGALDH1A1NPSR1EPHX1TP53
SCHEMBL2701907 0.76 SHBG (0.48) SHBGALDH1A1NPSR1EPHX1TP53
SCHEMBL12124953 0.76 SHBG (0.48) SHBGALDH1A1NPSR1EPHX1TP53

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107027309-B Antibacterial agent 昆士兰大学 2021-10-01 CN disclosed
US-10947271-B2 Antibacterial agents THE UNIVERSITY OF QUEENSLAND (AU) 2021-03-16 US disclosed
CN-107027309-A Antiseptic 昆士兰大学 2017-08-08 CN disclosed
US-20170204138-A1 ANTIBACTERIAL AGENTS THE UNIVERSITY OF QUEENSLAND (AU) 2017-07-20 US disclosed
EP-3105244-A1 ANTIBACTERIAL AGENTS The University Of Queensland (AU) 2016-12-21 EP disclosed
WO-2015117196-A1 ANTIBACTERIAL AGENTS THE UNIVERSITY OF QUEENSLAND (AU) 2015-08-13 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 (2 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-20170204138-A1 ANTIBACTERIAL AGENTS VNN1, ASNS, AAAS SHBG 3078/4885ALDH1A1 4427/4885NPSR1 2348/4885
US-10947271-B2 Antibacterial agents VNN1, ASNS, AAAS SHBG 3078/4885ALDH1A1 4427/4885NPSR1 2348/4885

“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.