SCHEMBL3581333

SCHEMBL3581333

NCCCCc1cc[c]cc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.60
HRH1 P35367 4/20 0.54
HTR2A P28223 3/20 0.43
SIGMAR1 Q99720 2/20 0.40
CYP2A6 P11509 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL3593094 0.98 MAOA (0.58) MAOAHRH1HTR2ASIGMAR1
SCHEMBL27478848 0.98 MAOA (0.58) MAOAHRH1HTR2ASIGMAR1
SCHEMBL309769 0.93 MAOA (0.50) MAOAHRH1HTR2ASIGMAR1CYP2A6
SCHEMBL11803736 0.87 MAOA (0.40) MAOAHRH1HTR2ASIGMAR1MAOB
SCHEMBL11690401 0.85 SIGMAR1 (0.41) MAOAHRH1HTR2ASIGMAR1MAOB
SCHEMBL758587 0.82
SCHEMBL3680378 0.82 MAOA (0.75) MAOAHRH1HTR2ACYP2A6TAAR1
SCHEMBL3034286 0.81 MAOA (0.38) MAOAHRH1HTR2ASIGMAR1MAOB
SCHEMBL28209200 0.80 TAAR1 (0.52) HTR2ACYP2A6SMN1; SMN2TAAR1LOXL2
SCHEMBL9350714 0.79 MAOA (0.71) MAOAHRH1HTR2AMAOB

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114350024-B Compound containing phosphorus and sulfonate as well as preparation method and application thereof 福建新安科技有限责任公司 2023-06-23 CN claimed
CN-114262440-B Phosphorus-containing, silicon-containing and sulfonate-containing compound, and preparation method and application thereof 福建新安科技有限责任公司 2022-12-09 CN claimed
CN-114196022-B Phosphorus-containing, silicon-containing and sulfonate-containing compound, and preparation method and application thereof 福建新安科技有限责任公司 2022-11-29 CN claimed
CN-114350024-A Phosphorus-containing and sulfonate-containing compound, and preparation method and application thereof 福建新安科技有限责任公司 2022-04-15 CN claimed
CN-114292299-A Phosphorus-containing, nitrogen-containing and sulfonate-containing compound, and preparation method and application thereof 福建新安科技有限责任公司 2022-04-08 CN claimed
CN-114262347-A Phosphorus-containing, nitrogen-containing and sulfonate-containing compound, and preparation method and application thereof 福建新安科技有限责任公司 2022-04-01 CN claimed
CN-114262440-A Phosphorus-containing, silicon-containing and sulfonate-containing compound, and preparation method and application thereof 福建新安科技有限责任公司 2022-04-01 CN claimed
CN-114195824-A Phosphorus-containing, nitrogen-containing and sulfonate-containing compound, and preparation method and application thereof 福建新安科技有限责任公司 2022-03-18 CN claimed
CN-114196022-A Phosphorus-containing, silicon-containing and sulfonate-containing compound, and preparation method and application thereof 福建新安科技有限责任公司 2022-03-18 CN claimed
CN-114350024-B Compound containing phosphorus and sulfonate as well as preparation method and application thereof 福建新安科技有限责任公司 2023-06-23 CN disclosed
CN-114262440-B Phosphorus-containing, silicon-containing and sulfonate-containing compound, and preparation method and application thereof 福建新安科技有限责任公司 2022-12-09 CN disclosed
CN-114196022-B Phosphorus-containing, silicon-containing and sulfonate-containing compound, and preparation method and application thereof 福建新安科技有限责任公司 2022-11-29 CN disclosed
CN-114350024-A Phosphorus-containing and sulfonate-containing compound, and preparation method and application thereof 福建新安科技有限责任公司 2022-04-15 CN disclosed
CN-114292299-A Phosphorus-containing, nitrogen-containing and sulfonate-containing compound, and preparation method and application thereof 福建新安科技有限责任公司 2022-04-08 CN disclosed
EP-1645576-A1 PROPYLENE BLOCK COPOLYMER Mitsubishi Chemical Corporation (JP) 2006-04-12 EP disclosed
US-20060019822-A1 Palladium catalyst composition JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2006-01-26 US disclosed
CN-1681592-A Palladium catalyst composition WAKO PURE CHEMICAL INDUSTIES L (JP) 2005-10-12 CN disclosed
EP-1537913-A1 PALLADIUM CATALYST COMPOSITION Wako Pure Chemical Industies, Ltd. (JP) 2005-06-08 EP disclosed
WO-2005049607-A1 TRIAZINE DIMERS FOR THE TREATMENT OF AUTOIMMUNE DISEASES PROMETIC BIOSCIENCES INC. (CA) 2005-06-02 WO disclosed
CN-1192015-C Cell adhesion inhibitors BIOGEN INC (US) 2005-03-09 CN 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-20060019822-A1 Palladium catalyst composition ODC1, NUDC, ADH1C MAOA 1512/4885HRH1 2656/4885HTR2A 4855/4885

“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.