SCHEMBL2704580

SCHEMBL2704580

[C-]#[N+]c1ccc2c(c1)OC(CCCCC)CO2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.39
POLB P06746 1/20 0.37
ESR2 Q92731 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CA2 P00918 3/20 0.36
HTT P42858 1/20 0.36
ALOX5 P09917 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
HTR6 P50406 1/20 0.34
CYP1A2 P05177 2/20 0.33
GRM2 Q14416 1/20 0.33
PPARG P37231 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL2705624 0.96 POLB (0.36) MTNR1APOLBESR2ALDH1A1CA2
SCHEMBL201170 0.77 GRM2 (0.46) MTNR1APOLBESR2ALDH1A1CA2
SCHEMBL201168 0.75 TSHR (0.48) MTNR1AALDH1A1CA2HTTALOX5
SCHEMBL12602022 0.73 POLB (0.59) MTNR1APOLBESR2CA2HTT
SCHEMBL204510 0.72 GRM2 (0.46) POLBESR2ALDH1A1HTTALOX5
SCHEMBL4260024 0.71 ALDH1A1 (0.43) POLBESR2ALDH1A1HTTALOX5
SCHEMBL201613 0.70 TSHR (0.48) MTNR1AALDH1A1HTTALOX5GRM2
SCHEMBL5895055 0.70 ALDH1A1 (0.46) POLBESR2ALDH1A1HTTALOX5
SCHEMBL4261969 0.70 ALDH1A1 (0.46) POLBESR2ALDH1A1HTTALOX5
SCHEMBL4258523 0.70 ALDH1A1 (0.46) POLBESR2ALDH1A1HTTALOX5

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
US-20150191420-A1 ANTIBACTERIAL AGENTS TAXIS PHARMACEUTICALS, INC. 2015-07-09 US disclosed
US-8865736-B2 Antibacterial agents Biota Scientific Pty Ltd (AU) 2014-10-21 US disclosed
US-20130072520-A2 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-03-21 US disclosed
US-20120122918-A1 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-05-17 US disclosed
US-8088791-B2 Antibacterial agents Biots Scientific Management Pty Ltd (AU) 2012-01-03 US disclosed
US-20100173933-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2010-07-08 US 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 (4 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-20120122918-A1 ANTIBACTERIAL AGENTS ALK, ROS1, ARG1 MTNR1A 650/4885POLB 445/4885ESR2 130/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 MTNR1A 332/4885POLB 364/4885ESR2 358/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 MTNR1A 456/4885POLB 435/4885ESR2 152/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 MTNR1A 332/4885POLB 364/4885ESR2 358/4885

“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.