SCHEMBL639984

SCHEMBL639984

COC(CCCO)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.51
UTS2R Q9UKP6 7/20 0.38
BRD4 O60885 1/20 0.38
GAA P10253 1/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A2 P23975 1/20 0.37
ADRB2 P07550 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL27654101 0.83 AOC3 (0.35) AOC3
SCHEMBL7197211 0.82 AOC3 (0.51) AOC3UTS2RGAASLC6A4SLC6A2
SCHEMBL19511956 0.81 GSR (0.43) SLC6A4SLC6A2LMNA
SCHEMBL1155354 0.81 AOC3 (0.58) AOC3UTS2RBRD4GAASLC6A4
SCHEMBL5662767 0.79 AOC3 (0.56) AOC3UTS2RGAASLC6A4SLC6A2
SCHEMBL1836673 0.78 AOC3 (0.51) AOC3UTS2RGAASLC6A4SLC6A2
SCHEMBL1836675 0.78 AOC3 (0.51) AOC3UTS2RGAASLC6A4SLC6A2
SCHEMBL1834085 0.78 AOC3 (0.51) AOC3UTS2RGAASLC6A4SLC6A2
SCHEMBL21199033 0.78 AOC3 (0.59) AOC3UTS2RSLC6A4SLC6A2ADRB2
SCHEMBL21198899 0.78 AOC3 (0.59) AOC3UTS2RSLC6A4SLC6A2ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119692-B2 Hydroxamic acid derivatives of 4-phenyl 4-hydroxy, 4-phenyl 4-alkoxy and 4-phenyl 4-arylalkoxy butyric acid useful as therapeutic agents for treating anthrax poisoning PANTHERA BIOPHARMA LLC (US) 2012-02-21 US disclosed
US-8119692-B2 Hydroxamic acid derivatives of 4-phenyl 4-hydroxy, 4-phenyl 4-alkoxy and 4-phenyl 4-arylalkoxy butyric acid useful as therapeutic agents for treating anthrax poisoning PANTHERA BIOPHARMA LLC (US) 2012-02-21 US disclosed
US-8119692-B2 Hydroxamic acid derivatives of 4-phenyl 4-hydroxy, 4-phenyl 4-alkoxy and 4-phenyl 4-arylalkoxy butyric acid useful as therapeutic agents for treating anthrax poisoning PANTHERA BIOPHARMA LLC (US) 2012-02-21 US disclosed
US-20100286125-A1 Hydroxamic acid derivatives of 4-phenyl 4-hydroxy, 4-phenyl 4-alkoxy and 4-phenyl 4-arylalkoxy butyric acid useful as therapeutic agents for treating anthrax poisoning PANTHERA BIOPHARMA, LLC 2010-11-11 US disclosed
US-20100286125-A1 Hydroxamic acid derivatives of 4-phenyl 4-hydroxy, 4-phenyl 4-alkoxy and 4-phenyl 4-arylalkoxy butyric acid useful as therapeutic agents for treating anthrax poisoning PANTHERA BIOPHARMA, LLC 2010-11-11 US disclosed
US-20100286125-A1 Hydroxamic acid derivatives of 4-phenyl 4-hydroxy, 4-phenyl 4-alkoxy and 4-phenyl 4-arylalkoxy butyric acid useful as therapeutic agents for treating anthrax poisoning PANTHERA BIOPHARMA, LLC 2010-11-11 US disclosed
WO-2009008920-A2 HYDROXAMIC ACID DERIVATIVES OF 4-PHENYL 4-HYDROXY, 4-PHENYL 4-ALKOXY AND 4-PHENYL 4-ARYLALKOXY BUTYRIC ACID USEFUL AS THERAPEUTIC AGENTS FOR TREATING ANTHRAX POISONING PANTHERA BIOPHARMA, LLC. (US) 2009-01-15 WO disclosed
WO-2009008920-A2 HYDROXAMIC ACID DERIVATIVES OF 4-PHENYL 4-HYDROXY, 4-PHENYL 4-ALKOXY AND 4-PHENYL 4-ARYLALKOXY BUTYRIC ACID USEFUL AS THERAPEUTIC AGENTS FOR TREATING ANTHRAX POISONING PANTHERA BIOPHARMA, LLC. (US) 2009-01-15 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-20100286125-A1 Hydroxamic acid derivatives of 4-phenyl 4-hydroxy, 4-phenyl 4-alkoxy and 4-phenyl 4-arylalkoxy butyric acid useful as therapeutic agents for treating anthrax poisoning ANTXR2, ABAT, BAX AOC3 1544/4885UTS2R 3394/4885BRD4 918/4885

“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.