SCHEMBL12628263

SCHEMBL12628263

CCCCCCCCCCC1(CCCCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)C(CCCCCCCCCC)(CCCCCCCCCC)c5ccccc5-6)ccc3n4CCCCCCCC)cc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 9/20 0.41
▸ ICMT O60725 2/20 0.40
▸ PSEN1 P49768 2/20 0.40
▸ PSEN2 P49810 2/20 0.40
▸ APH1B Q8WW43 2/20 0.40
▸ NCSTN Q92542 2/20 0.40
▸ APH1A Q96BI3 2/20 0.40
▸ PSENEN Q9NZ42 2/20 0.40
▸ SIRT2 Q8IXJ6 4/20 0.39
▸ SIRT1 Q96EB6 3/20 0.39
▸ RORA P35398 2/20 0.38
▸ RORC P51449 2/20 0.38
▸ RORB Q92753 2/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ PGR P06401 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
SCHEMBL12628256 0.91 PSEN1 (0.41) CNR2ICMTPSEN1PSEN2APH1B
SCHEMBL14261686 0.88 SIRT2 (0.43) ICMTPSEN1PSEN2APH1BNCSTN
SCHEMBL19975623 0.87 ICMT (0.40) CNR2ICMTPSEN1PSEN2APH1B
SCHEMBL13293868 0.85 RORA (0.46) ICMTPSEN1PSEN2APH1BNCSTN
SCHEMBL18157797 0.85 CNR2 (0.43) CNR2PSEN1PSEN2APH1BNCSTN
SCHEMBL1994589 0.85 PDK2 (0.41) —
SCHEMBL20021510 0.84 CNR2 (0.43) CNR2PSEN1PSEN2APH1BNCSTN
SCHEMBL19050725 0.84 ICMT (0.34) ICMTSIRT2SIRT1
SCHEMBL17127051 0.82 ICMT (0.35) CNR2ICMTPSEN1PSEN2APH1B
SCHEMBL5660864 0.81 PDK2 (0.39) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9705097-B2 Metal complex and light-emitting device containing the metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-07-11 — — US disclosed
US-9048442-B2 Composition containing a metal complex and organic compound, and light-emitting element using said compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-06-02 — — US disclosed
US-20140374727-A1 METAL COMPLEX AND LIGHT-EMITTING DEVICE CONTAINING THE METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-12-25 — — US disclosed
US-20140306203-A1 METAL COMPLEX AND LIGHT-EMITTING DEVICE COMPRISING THE METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-10-16 — — US disclosed
US-20120298932-A1 METAL COMPLEX, COMPOSITION COMPRISING SAME AND LIGHT-EMITTING ELEMENT USING SAME TOKYO INSTITUTE OF TECHNOLOGY (JP) 2012-11-29 — — US disclosed
US-20110124808-A1 POLYMERIC COMPOUND CONTAINING METAL COMPLEX RESIDUE AND ELEMENT COMPRISING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-26 — — US disclosed
US-20110114890-A1 COMPOSITION CONTAINING A METAL COMPLEX AND ORGANIC COMPOUND, AND LIGHT-EMITTING ELEMENT USING SAID COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-19 — — US disclosed
US-20100264812-A1 METAL COMPLEX, LIGHT-EMITTING MATERIAL, AND LIGHT-EMITTING DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-10-21 — — US disclosed
US-20100019669-A1 METAL COMPLEX, POLYMER COMPOUND AND DEVICE CONTAINING THOSE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-01-28 — — US disclosed
US-20090043064-A1 METAL COMPLEX, POLYMER COMPOUND, AND DEVICE CONTAINING IT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-12 — — 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 (5 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-20110124808-A1 POLYMERIC COMPOUND CONTAINING METAL COMPLEX RESIDUE AND ELEMENT COMPRISING SAME ZRANB2, ZKSCAN2, SLC39A3 CNR2 1828/4885ICMT 2297/4885PSEN1 4495/4885
US-20120298932-A1 METAL COMPLEX, COMPOSITION COMPRISING SAME AND LIGHT-EMITTING ELEMENT USING SAME C1S, AP3M1, AP1M1 CNR2 1113/4885ICMT 1451/4885PSEN1 294/4885
US-20090043064-A1 METAL COMPLEX, POLYMER COMPOUND, AND DEVICE CONTAINING IT TIMCC, AP1M1, TXN CNR2 2731/4885ICMT 1704/4885PSEN1 234/4885
US-20100019669-A1 METAL COMPLEX, POLYMER COMPOUND AND DEVICE CONTAINING THOSE AP1M1, MRPL21, C1R CNR2 3235/4885ICMT 2637/4885PSEN1 3287/4885
US-20100264812-A1 METAL COMPLEX, LIGHT-EMITTING MATERIAL, AND LIGHT-EMITTING DEVICE SOD1, CRY1, YAP1 CNR2 2218/4885ICMT 497/4885PSEN1 977/4885

“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.

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