SCHEMBL5785

SCHEMBL5785

Fc1ccc(-c2ccc(CCI)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.61
TAAR1 Q96RJ0 4/20 0.52
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
CASP1 P29466 1/20 0.46
HSD17B10 Q99714 1/20 0.46
IDO1 P14902 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
AOC3 Q16853 1/20 0.43
CYP17A1 P05093 1/20 0.41
CYP21A2 P08686 1/20 0.41
CYP11B1 P15538 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
PYCR1 P32322 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
SCHEMBL755085 0.92 TAAR1 (0.59) MAOBTAAR1ALDH1A1HPGDALOX15
SCHEMBL7545271 0.90 TAAR1 (0.56) MAOBTAAR1ALDH1A1HPGDALOX15
SCHEMBL19651375 0.82 MAOB (0.64) MAOBTAAR1IDO1LOXL2AOC3
SCHEMBL22621170 0.80 MAOB (0.61) MAOBTAAR1ALDH1A1HSD17B10IDO1
SCHEMBL386493 0.80 TAAR1 (0.52) MAOBTAAR1ALDH1A1HPGDALOX15
SCHEMBL22621136 0.80 MAOB (0.61) MAOBTAAR1ALDH1A1HSD17B10IDO1
SCHEMBL7465853 0.78 MAOB (0.59) MAOBTAAR1IDO1LOXL2AOC3
SCHEMBL6546 0.78 MAOB (0.59) MAOBTAAR1IDO1LOXL2AOC3
SCHEMBL7552100 0.78 MAOB (0.59) MAOBTAAR1ALDH1A1HPGDAOC3
SCHEMBL6626055 0.78 MAOB (0.59) MAOBTAAR1IDO1LOXL2AOC3

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 880/4885TAAR1 3573/4885ALDH1A1 2127/4885
US-20140364398-A1 C-Linked Hydroxamic Acid Derivatives Useful As Antibacterial Agents LCT, AGXT, PRXL2A MAOB 1378/4885TAAR1 4683/4885ALDH1A1 3435/4885

“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.