SCHEMBL6546

SCHEMBL6546

OCCc1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.59
CA2 P00918 2/20 0.52
TAAR1 Q96RJ0 3/20 0.50
TDP1 Q9NUW8 1/20 0.48
PTGS1 P23219 2/20 0.44
PTGS2 P35354 1/20 0.44
IDO1 P14902 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
AOC3 Q16853 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
TSHR P16473 1/20 0.42
MCHR1 Q99705 1/20 0.41

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
SCHEMBL56520 0.93 CA2 (0.59) MAOBCA2TAAR1TDP1PTGS1
SCHEMBL2044945 0.87 CA2 (0.65) MAOBCA2TDP1CA12CA1
SCHEMBL10787556 0.86 CA2 (0.52) MAOBCA2TAAR1TDP1PTGS1
SCHEMBL11129547 0.82 CA2 (0.48) MAOBCA2TAAR1TDP1PTGS1
SCHEMBL9107231 0.80 LTA4H (0.51) MAOBCA2TAAR1TDP1
SCHEMBL4412749 0.80 PTGS1 (0.60) MAOBTAAR1PTGS1IDO1LOXL2
SCHEMBL19651375 0.80 MAOB (0.64) MAOBTAAR1PTGS1PTGS2IDO1
SCHEMBL18069884 0.80 AGXT (0.57) TAAR1TDP1
SCHEMBL40656 0.79 CA2 (0.77) CA2TAAR1TDP1CA12CA1
SCHEMBL8668581 0.79 CYP17A1 (0.53) MAOBCA2TAAR1TDP1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents PFIZER INC. (US) 2014-12-11 US disclosed
US-8853258-B2 C-linked hydroxamic acid derivatives useful as antibacterial agents PFIZER INC. (US) 2014-10-07 US disclosed
EP-2488489-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc. (US) 2012-08-22 EP disclosed
US-20120202777-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents BROWN MATTHEW FRANK (US) 2012-08-09 US disclosed
WO-2011045703-A2 C-LINKED HYDROXAMIC ACID DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2011-04-21 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-20120202777-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents HAX1, LPXN, AGXT MAOB 880/4885CA2 1239/4885TAAR1 3573/4885
US-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents LCT, AGXT, PRXL2A MAOB 1378/4885CA2 1183/4885TAAR1 4683/4885

“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.