SCHEMBL6161854

SCHEMBL6161854

CO/C1=C\CCCCCCCCCC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 2/20 0.33
KDM1A O60341 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CXCR3 P49682 1/20 0.31
PSMB5 P28074 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL873944 1.00 RAB9A (0.34) RAB9AALDH1A1NPC1KDM1ASMN1; SMN2
SCHEMBL1053120 1.00 RAB9A (0.34) RAB9AALDH1A1NPC1KDM1ASMN1; SMN2
SCHEMBL6161857 1.00 RAB9A (0.34) RAB9AALDH1A1NPC1KDM1ASMN1; SMN2
SCHEMBL1053121 1.00 RAB9A (0.34) RAB9AALDH1A1NPC1KDM1ASMN1; SMN2
SCHEMBL1051198 1.00
SCHEMBL873943 1.00 RAB9A (0.34) RAB9AALDH1A1NPC1KDM1ASMN1; SMN2
SCHEMBL6161860 1.00 RAB9A (0.34) RAB9AALDH1A1NPC1KDM1ASMN1; SMN2
SCHEMBL46404 0.97
SCHEMBL8967946 0.93 RAB9A (0.32) RAB9AALDH1A1NPC1HDAC4HDAC2
SCHEMBL8967953 0.93 RAB9A (0.32) RAB9AALDH1A1NPC1HDAC4HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113614057-B Process for producing alpha-allylated cycloalkanone 花王株式会社 2024-09-27 CN disclosed
CN-113614058-B Process for producing alpha-allylated cycloalkanone 花王株式会社 2024-09-27 CN disclosed
EP-3943477-B1 METHOD FOR PRODUCING ALPHA-ALLYLATION CYCLOALKANONE KAO CORP (JP) 2024-08-07 EP disclosed
US-11685705-B2 Method for producing α-allylated cycloalkanone KAO CORPORATION (JP) 2023-06-27 US disclosed
US-11524929-B2 Method for producing alpha-allylated cycloalkanone KAO CORPORATION (JP) 2022-12-13 US disclosed
US-20220153671-A1 METHOD FOR PRODUCING ALPHA-ALLYLATED CYCLOALKANONE KAO CORPORATION (JP) 2022-05-19 US disclosed
US-20220153672-A1 METHOD FOR PRODUCING ALPHA-ALLYLATED CYCLOALKANONE KAO CORPORATION (JP) 2022-05-19 US disclosed
EP-3943477-A1 METHOD FOR PRODUCING ALPHA-ALLYLATION CYCLOALKANONE Kao Corporation (JP) 2022-01-26 EP disclosed
EP-3943476-A1 METHOD FOR PRODUCING alpha- ALLYLATED CYCLOALKANONE Kao Corporation (JP) 2022-01-26 EP disclosed
CN-113614057-A Process for preparing alpha-allylated cycloalkanones 花王株式会社 2021-11-05 CN disclosed
CN-113614058-A Process for preparing alpha-allylated cycloalkanones 花王株式会社 2021-11-05 CN disclosed
WO-2020189670-A1 METHOD FOR PRODUCING α – ALLYLATED CYCLOALKANONE 花王株式会社 2020-09-24 WO disclosed
EP-0893442-B1 LYMPH-ABSORBABLE IMIDAZOLE DERIVATIVES SHIONOGI & CO (JP) 2005-01-12 EP disclosed
US-6054591-A LYMPHOTROPIC ANTI-AIDS AGENT SHIONOGI & CO., LTD. (JP) 2000-04-25 US disclosed
EP-0893442-A1 LYMPH-ABSORBABLE IMIDAZOLE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1999-01-27 EP disclosed
US-4206112-A α-Nitrosoketal dimers and production of α-oximinoketals therefrom ALLIED CHEMICAL CORPORATION (US) 1980-06-03 US disclosed
US-4045422-A NITROSATING AN ALKOXYALKENE ALLIED CHEMICAL CORPORATION (US) 1977-08-30 US disclosed
US-4013709-A REACTION OF ENOL ETHER WITH HYDROGEN PEROXIDE, BORON CATALYST BAYER AKTIENGESELLSCHAFT (DT) 1977-03-22 US disclosed
US-4001303-A BORON COMPOUND; COMPOUNDS, 5; COMPOUNDS, 6; CATALYSTS BAYER AKTIENGESELLSCHAFT (DT) 1977-01-04 US 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 (4 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-11524929-B2 Method for producing alpha-allylated cycloalkanone ADH1A, ADH1C, ADH5 RAB9A 3379/4885ALDH1A1 32/4885NPC1 2662/4885
US-20220153671-A1 METHOD FOR PRODUCING ALPHA-ALLYLATED CYCLOALKANONE ADH1A, ADH1C, ADH5 RAB9A 3379/4885ALDH1A1 32/4885NPC1 2662/4885
US-20220153672-A1 METHOD FOR PRODUCING ALPHA-ALLYLATED CYCLOALKANONE AKR1C3, PYM1, AKR1A1 RAB9A 3808/4885ALDH1A1 165/4885NPC1 1216/4885
US-11685705-B2 Method for producing α-allylated cycloalkanone AKR1C3, GALK1, PYM1 RAB9A 3794/4885ALDH1A1 169/4885NPC1 1255/4885

“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.