SCHEMBL790829

SCHEMBL790829

c1ccc(C2CCCCCCCCCCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 7/20 0.63
SIGMAR1 Q99720 2/20 0.58
CYP11B2 P19099 1/20 0.56
CYP2D6 P10635 3/20 0.53
KMO O15229 1/20 0.53
CYP2C19 P33261 1/20 0.53
TSHR P16473 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
ALDH1A1 P00352 1/20 0.50
APEX1 P27695 1/20 0.50
BLM P54132 1/20 0.50
TRPA1 O75762 1/20 0.48

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
Cyclohexane SCHEMBL11811100 1.00 SLC18A3 (0.63) SLC18A3SIGMAR1CYP11B2CYP2D6KMO
SCHEMBL30731352 1.00 SLC18A3 (0.63) SLC18A3SIGMAR1CYP11B2CYP2D6KMO
SCHEMBL190370 1.00 SLC18A3 (0.63) SLC18A3SIGMAR1CYP11B2CYP2D6KMO
Benzene SCHEMBL11808437 1.00 SLC18A3 (0.63) SLC18A3SIGMAR1CYP11B2CYP2D6KMO
SCHEMBL447032 1.00 SLC18A3 (0.63) SLC18A3SIGMAR1CYP11B2CYP2D6KMO
SCHEMBL11562787 1.00 SLC18A3 (0.63) SLC18A3SIGMAR1CYP11B2CYP2D6KMO
SCHEMBL19198566 1.00 SLC18A3 (0.63) SLC18A3SIGMAR1CYP11B2CYP2D6KMO
SCHEMBL42833 1.00 SLC18A3 (0.63) SLC18A3SIGMAR1CYP11B2CYP2D6KMO
SCHEMBL19262690 1.00 SLC18A3 (0.63) SLC18A3SIGMAR1CYP11B2CYP2D6KMO
Hydrogen Peroxide SCHEMBL11586135 0.97 SLC18A3 (0.61) SLC18A3SIGMAR1CYP11B2CYP2D6KMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445729-B2 Process for the production of alkylbenzene hydroperoxides under mild conditions and in the presence of new catalytic systems POLIMERI EUROPA S.P.A. (IT) 2013-05-21 US claimed
US-20110251436-A1 PROCESS FOR THE PRODUCTION OF ALKYLBENZENE HYDROPEROXIDES UNDER MILD CONDITIONS AND IN THE PRESENCE OF NEW CATALYTIC SYSTEMS POLIMERI EUROPA S.P.A. (IT) 2011-10-13 US claimed
CN-101977896-A Process for the production of alkylbenzene hydroperoxides under mild conditions and in the presence of a novel catalytic system POLIMERI EUROPA SPA 2011-02-16 CN claimed
EP-2265577-A1 PROCESS FOR THE PRODUCTION OF ALKYLBENZENE HYDROPEROXIDES UNDER MILD CONDITIONS AND IN THE PRESENCE OF NEW CATALYTIC SYSTEMS Polimeri Europa S.p.A. (IT) 2010-12-29 EP claimed
WO-2009115276-A1 PROCESS FOR THE PRODUCTION OF ALKYLBENZENE HYDROPEROXIDES UNDER MILD CONDITIONS AND IN THE PRESENCE OF NEW CATALYTIC SYSTEMS POLIMERI EUROPA S.P.A. (IT) 2009-09-24 WO claimed
US-6852893-B2 Method for oxidizing hydrocarbons CREAVIS GESELLSCHAFT FUER TECHNOLOGIE AND INNOVATION MBH (DE) 2005-02-08 US claimed
EP-1268367-B1 METHOD FOR OXIDIZING HYDROCARBONS DEGUSSA (DE) 2004-07-21 EP claimed
EP-1237836-B1 METHOD FOR PRODUCING ALCOHOL/KETONE MIXTURES RHODIA POLYAMIDE INTERMEDIATES (FR) 2004-05-06 EP claimed
US-6677490-B2 DECOMPOSITION OF AN ALKYL HYDROPEROXIDE IN THE PRESENCE OF A CATALYST COMPRISING A CATALYTICALLY ACTIVE METAL ELEMENT IMMOBILIZED ON A SOLID SUPPORT, TO PRODUCE KETONE/ALCOHOL MIXTURE RHODIA POLYAMIDE INTERMEDIATES (FR) 2004-01-13 US claimed
US-20030176733-A1 Method for oxidizing hydrocarbons CREAVIS GESELLSCHAFT FUER TECHNOLOGIE UND INNOVATION MBH (DE) 2003-09-18 US claimed
CN-1420855-A Process for oxidizing hydrocarbons CREAVIS TECH & INNOVATION GMBH (DE) 2003-05-28 CN claimed
EP-1268367-A2 METHOD FOR OXIDIZING HYDROCARBONS Creavis Gesellschaft für Technologie und Innovation mbH (DE) 2003-01-02 EP claimed
EP-1237836-A1 METHOD FOR PRODUCING ALCOHOL/KETONE MIXTURES RHODIA POLYAMIDE INTERMEDIATES (FR) 2002-09-11 EP claimed
WO-2001074742-A2 METHOD FOR OXIDIZING HYDROCARBONS DEGUSSA AG (DE) 2001-10-11 WO claimed
WO-2001044153-A1 METHOD FOR PRODUCING ALCOHOL/KETONE MIXTURES RHODIA POLYAMIDE INTERMEDIATES (FR) 2001-06-21 WO claimed
WO-2024088110-A1 HETEROCYCLIC MACROCYCLIC COMPOUND CONTAINING INDAZOLE STRUCTURE AND USED AS PROTEIN KINASE INHIBITOR, AND PREPARATION METHOD THEREFOR 复旦大学 2024-05-02 WO disclosed
WO-2024017258-A1 EGFR SMALL MOLECULE INHIBITOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF 百极弘烨(南通)医药科技有限公司 2024-01-25 WO disclosed
US-4215219-A CHELATING AGENTS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 1980-07-29 US disclosed
US-4085261-A CHELATING AGENT WITH A STYRENE POLYMER BACKBONE YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 1978-04-18 US disclosed
US-4013621-A OXIDATION RESISTANCE CIBA-GEIGY CORPORATION (US) 1977-03-22 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 (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-20030176733-A1 Method for oxidizing hydrocarbons CBR1, CBR3, SCO2 SLC18A3 4380/4885SIGMAR1 753/4885CYP11B2 83/4885

“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.