SCHEMBL3080355

SCHEMBL3080355

[CH2]C(CC)c1cccc(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
CASR P41180 2/20 0.47
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
ACHE P22303 1/20 0.45
TAAR1 Q96RJ0 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL16952633 0.83 AOC3 (0.53) AOC3L3MBTL1CASRMTNR1AMTNR1B
SCHEMBL16952787 0.83 CASR (0.50) AOC3L3MBTL1CASRMTNR1AMTNR1B
SCHEMBL13814395 0.82 AOC3 (0.51) AOC3L3MBTL1CASRMTNR1AMTNR1B
SCHEMBL11618270 0.82 AOC3 (0.51) AOC3L3MBTL1CASRMTNR1AMTNR1B
SCHEMBL2322739 0.82 CASR (0.47) AOC3L3MBTL1CASRMTNR1AMTNR1B
SCHEMBL6702192 0.82 MTNR1A (0.46) AOC3L3MBTL1CASRMTNR1AMTNR1B
SCHEMBL8317373 0.82 CASR (0.51) AOC3L3MBTL1CASRMTNR1AMTNR1B
SCHEMBL14162717 0.81 CASR (0.51) AOC3L3MBTL1CASRTAAR1
Ammonia Solution, Strong SCHEMBL6001103 0.81 CASR (0.51) AOC3L3MBTL1CASRMTNR1AMTNR1B
SCHEMBL10192231 0.81 CASR (0.51) AOC3L3MBTL1CASRTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234220-A1 Oxooxetanes as Fungicidal Agents BAYER CROPSCIENCE AG (DE) 2010-09-16 US disclosed
EP-0702686-B1 ANTIMICROBIAL SILOXANE QUATERNARY AMMONIUM SALTS KIMBERLY CLARK CO (US) 2001-09-05 EP disclosed
US-5853641-A Method for preparing polyolefin fibers containing antimicrobial siloxane quarternary ammonium salts KIMBERLY-CLARK WORLDWIDE, INC. (US) 1998-12-29 US disclosed
US-5854147-A Non-woven web containing antimicrobial siloxane quaternary ammonium salts KIMBERLY-CLARK WORLDWIDE, INC. (US) 1998-12-29 US disclosed
US-5853883-A Polyolefin fibers containing antimicrobial siloxane quaternary ammonium salts KIMBERLY-CLARK WORLDWIDE, INC. (US) 1998-12-29 US disclosed
US-5777010-A BLEND WITH THERMOPLASTIC POLYOLEFIN KIMBERLY-CLARK WORLDWIDE, INC. (US) 1998-07-07 US disclosed
US-5569732-A TRISILOXANE KIMBERLY-CLARK CORPORATION (US) 1996-10-29 US disclosed
US-5567372-A Method for preparing a nonwoven web containing antimicrobial siloxane quaternary ammonium salts KIMBERLY-CLARK CORPORATION (US) 1996-10-22 US disclosed
EP-0702686-A1 ANTIMICROBIAL SILOXANE QUATERNARY AMMONIUM SALTS KIMBERLY-CLARK CORPORATION (US) 1996-03-27 EP disclosed
WO-1994029325-A1 ANTIMICROBIAL SILOXANE QUATERNARY AMMONIUM SALTS KIMBERLY-CLARK CORPORATION (US) 1994-12-22 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-20100234220-A1 Oxooxetanes as Fungicidal Agents CYP51A1, PNPO, AOX1 AOC3 9/4885L3MBTL1 3994/4885CASR 4522/4885

“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.