Sugi Predict

Sugi Predict / Compounds / SCHEMBL2480341

SCHEMBL2480341

SCHEMBL2480341

CCCCCc1cnn(CCCCC)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.40
▸ CNR2 P34972 2/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ TOP2A P11388 1/20 0.37
▸ HSD11B1 P28845 1/20 0.35
▸ HRH4 Q9H3N8 2/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ MIF P14174 1/20 0.33

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
SCHEMBL25245113 0.82 KCNH2 (0.34) KCNH2CNR2CNR1HRH4HRH3
Bromide SCHEMBL6858666 0.79 CHRM2 (0.34) KCNH2CNR2CNR1TOP2AHSD11B1
SCHEMBL11754113 0.78 ALDH1A1 (0.39) TOP2AL3MBTL1
SCHEMBL28843541 0.78 TOP2A (0.40) TOP2ACYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL8646014 0.76 KCNH2 (0.41) KCNH2CNR2CNR1HRH4HRH3
SCHEMBL11148828 0.74 KCNH2 (0.44) KCNH2CNR2CNR1TDP1MEN1
SCHEMBL4558263 0.71 TOP2A (0.38) TOP2A
SCHEMBL5654233 0.69 TOP2A (0.37) TOP2AL3MBTL1
SCHEMBL5655794 0.69 P2RX7 (0.42) TOP2AL3MBTL1
SCHEMBL5047937 0.69 TLR8 (0.51) HRH3MEN1CYP1A2CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100145050-A1 ORTHOGONALLY FIXED COMPOUNDS FOR ELECTROOPTICAL APPLICATIONS TECHNISCHE UNIVERSITAT BRAUNSCHWEIG (DE) 2010-06-10 — — US claimed
EP-1838805-B1 ORTHOGONALLY FIXED COMPOUNDS FOR ELECTROOPTICAL APPLICATIONS UNIV BRAUNSCHWEIG TECH (DE) 2009-12-02 — — EP claimed
US-9972791-B2 [2.2]paracyclophane-derived donor/acceptor-type molecules for OLED applications MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-05-15 — — US disclosed
WO-2016196885-A1 [2-2]PARACYCLOPHANE-DERIVED DONOR/ACCEPTOR-TYPE MOLECULES FOR OLED APPLICATIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-12-08 — — WO disclosed
US-20160359118-A1 [2.2]Paracyclophane-Derived Donor/Acceptor-Type Molecules for OLED Applications MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2016-12-08 — — US disclosed
EP-2542562-A1 LUMINESCENT ORGANOMETALLIC COMPOUND Technische Universität Braunschweig (DE) 2013-01-09 — — EP disclosed
US-8278238-B2 Triplet emitter having condensed five-membered rings Universitaet Bruanschweig (DE) 2012-10-02 — — US disclosed
WO-2011107491-A1 LUMINESCENT ORGANOMETALLIC COMPOUND TECHNISCHE UNIVERSITÄT BRAUNSCHWEIG (DE) 2011-09-09 — — WO disclosed
US-20100145050-A1 ORTHOGONALLY FIXED COMPOUNDS FOR ELECTROOPTICAL APPLICATIONS TECHNISCHE UNIVERSITAT BRAUNSCHWEIG (DE) 2010-06-10 — — US disclosed
EP-1838805-B1 ORTHOGONALLY FIXED COMPOUNDS FOR ELECTROOPTICAL APPLICATIONS UNIV BRAUNSCHWEIG TECH (DE) 2009-12-02 — — EP disclosed
US-20090165846-A1 TRIPLET EMITTER HAVING CONDENSED FIVE-MEMBERED RINGS UNIVERSITAET BRAUNSCHWEIG (DE) 2009-07-02 — — US disclosed
US-20080194821-A1 Light Emitting Compound for Electroluminescent Applications TECHNISCHE UNIVERSITAET BRAUNCHWEIG (DE) 2008-08-14 — — US disclosed
EP-1926741-A1 TRIPLET EMITTER HAVING CONDENSED FIVE-MEMBERED RINGS Technische Universität Braunschweig (DE) 2008-06-04 — — EP disclosed
EP-1883687-A1 LIGHT EMITTING COMPOUND FOR ELECTROLUMINESCENT APPLICATIONS Technische Universität Braunschweig (DE) 2008-02-06 — — EP disclosed
EP-1838805-A1 ORTHOGONALLY FIXED COMPOUNDS FOR ELECTROOPTICAL APPLICATIONS Technische Universität Braunschweig (DE) 2007-10-03 — — EP disclosed
WO-2007065480-A1 DYE SENSITIZED SOLAR CELL TECHNISCHE UNIVERSITÄT BRAUNSCHWEIG (DE) 2007-06-14 — — WO disclosed
WO-2007028417-A1 TRIPLETT EMITTER HAVING CONDENSED FIVE-MEMBERED RINGS TECHNISCHE UNIVERSITÄT BRAUNSCHWEIG (DE) 2007-03-15 — — WO disclosed
WO-2007028822-A1 TRIPLET EMITTER HAVING CONDENSED FIVE-MEMBERED RINGS TECHNISCHE UNIVERSITÄT BRAUNSCHWEIG (DE) 2007-03-15 — — WO disclosed
WO-2006119800-A1 LIGHT EMITTING COMPOUND FOR ELECTROLUMINESCENT APPLICATIONS TECHNISCHE UNIVERSITÄT BRAUNSCHWEIG (DE) 2006-11-16 — — WO disclosed
WO-2006072470-A1 ORTHOGONALLY FIXED COMPOUNDS FOR ELECTROOPTICAL APPLICATIONS TECHNISCHE UNIVERSITÄT BRAUNSCHWEIG (DE) 2006-07-13 — — 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 (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-20080194821-A1 Light Emitting Compound for Electroluminescent Applications NR2E3, DRD3, OCIAD2 KCNH2 762/4885CNR2 987/4885CNR1 1519/4885
US-20090165846-A1 TRIPLET EMITTER HAVING CONDENSED FIVE-MEMBERED RINGS MT-ND5, MCM5, PIN4 KCNH2 1082/4885CNR2 2311/4885CNR1 2767/4885
US-20160359118-A1 [2.2]Paracyclophane-Derived Donor/Acceptor-Type Molecules for OLED Applications OCIAD2, OCIAD1, PPOX KCNH2 2539/4885CNR2 93/4885CNR1 304/4885
US-20100145050-A1 ORTHOGONALLY FIXED COMPOUNDS FOR ELECTROOPTICAL APPLICATIONS AQP4, SLC16A3, AQP1 KCNH2 18/4885CNR2 2070/4885CNR1 2956/4885

“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.