SCHEMBL133552

SCHEMBL133552

C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2=[Ru](Cl)(Cl)=Cc2ccccc2)c(C)c1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 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
SCHEMBL16699727 1.00 BACE1 (0.30) BACE1
SCHEMBL1535723 0.99 BACE1 (0.31) BACE1
SCHEMBL4604431 0.88
SCHEMBL1942951 0.87 BACE1 (0.32) BACE1
SCHEMBL4605446 0.87
SCHEMBL2384831 0.85 TSHR (0.34)
SCHEMBL29649091 0.85
SCHEMBL1535715 0.84
SCHEMBL1535718 0.83
SCHEMBL4650164 0.83 BACE1 (0.31) BACE1

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 1135 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018333-A1 Producing Recycled Carbon Black from Waste Tires EXXONMOBIL TECHNOLOGY & ENGINEERING COMPANY (US) 2024-01-18 US claimed
EP-3287458-B1 HYBRID CYCLIC LIBRARIES AND SCREENING THEREOF UNIV JOHNS HOPKINS (US) 2022-07-13 EP claimed
EP-4013736-A1 BRANCHED ALKANES AND PROCESS FOR PREPARING SAME L'OREAL (FR) 2022-06-22 EP claimed
US-20210340285-A1 METHOD FOR PRODUCING HYDROGENATED NITRILE RUBBER AND HNBR COMPOSITIONS THEREOF ARLANXEO DEUTSCHLAND GMBH (DE) 2021-11-04 US claimed
US-20200299253-A1 SUBSTITUTED 1,2,3,4-TETRAHYDRO-1,1'-BIPHENYL COMPOUNDS UNIVERSITY OF SOUTH FLORIDA 2020-09-24 US claimed
US-10640482-B2 Synthesis of cannabinoids UNIVERSITY OF SOUTH FLORIDA (US) 2020-05-05 US claimed
US-20190023680-A1 SYNTHESIS OF CANNABINOIDS UNIVERSITY OF SOUTH FLORIDA (US) 2019-01-24 US claimed
US-20180222942-A1 HYBRID CYCLIC LIBRARIES AND SCREENS THEREOF THE JOHNS HOPKINS UNIVERSITY 2018-08-09 US claimed
EP-3287458-A2 HYBRID CYCLIC LIBRARIES AND SCREENS THEREOF The Johns Hopkins University (US) 2018-02-28 EP claimed
US-20180050329-A1 Hybrid Catalyst for Olefin Metathesis SAUDI ARABIAN OIL COMPANY (SA) 2018-02-22 US claimed
WO-2009155517-A2 OLEFIN FUNCTIONALIZATION BY METATHESIS REACTION EXXONMOBIL CHEMICAL PATENT INC. (US) 2009-12-23 WO claimed
US-7550607-B2 Method of preparation of heterocyclic molecules with pharmaceutical, pharmaceutical excipient, cosmeceutical, agrochemical and industrial uses AUSPEX PHARMACEUTICAL, INC. (US) 2009-06-23 US claimed
US-20080227851-A1 LAULIMALIDE AND LAULIMALIDE ANALOGS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-09-18 US claimed
EP-1673328-B1 AN IMPROVED PROCESS FOR THE SYNTHESIS OF UNSATURATED ALCOHOLS DOW GLOBAL TECHNOLOGIES INC (US) 2008-07-09 EP claimed
EP-1594835-A4 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES AUSPEX PHARMACEUTICALS INC (US) 2007-05-02 EP claimed
US-7176336-B2 Preparing 9-octadecene-7,12-diol by catalyzing methyl ricinoleate derived from a seed oil, in presence of a metathesis catalyst; improved yield; use in manufacture of surfactants and thermoplastic polyurethanes DOW GLOBAL TECHNOLOGIES INC. (US) 2007-02-13 US claimed
US-20060173199-A1 Method of preparation of heterocyclic molecules with pharmaceutical, pharmaceutical excipient, cosmeceutical, agrochemical and industrial uses HONG BORCHERNG 2006-08-03 US claimed
EP-1594835-A2 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES Auspex Pharmaceuticals, Inc. (US) 2005-11-16 EP claimed
US-20050080301-A1 Process for the synthesis of unsaturated alcohols DOW GLOBAL TECHNOLOGIES LLC 2005-04-14 US claimed
WO-2004064745-A2 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES AUSPEX PHARMACEUTICALS, INC. (US) 2004-08-05 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20080227851-A1 LAULIMALIDE AND LAULIMALIDE ANALOGS SSB, LPXN, LTA BACE1 4341/4885
US-20050080301-A1 Process for the synthesis of unsaturated alcohols FASN, SQLE, ALOX12 BACE1 2880/4885
US-20190023680-A1 SYNTHESIS OF CANNABINOIDS CNR1, CNR2, FAAH BACE1 1647/4885
US-10640482-B2 Synthesis of cannabinoids CNR1, CNR2, FAAH BACE1 1647/4885
US-20200299253-A1 SUBSTITUTED 1,2,3,4-TETRAHYDRO-1,1'-BIPHENYL COMPOUNDS CYP1B1, CYP4B1, CYP1A1 BACE1 532/4885
US-20060173199-A1 Method of preparation of heterocyclic molecules with pharmaceutical, pharmaceutical excipient, cosmeceutical, agrochemical and industrial uses LSS, DHPS, CYP51A1 BACE1 984/4885
US-20180222942-A1 HYBRID CYCLIC LIBRARIES AND SCREENS THEREOF CACYBP, HSPBP1, PEBP1 BACE1 2967/4885

“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.