SCHEMBL12060868

SCHEMBL12060868

CN(c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4ccccc34)cc2)cc1)c1cccc(N=O)c1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 12/20 0.37
▸ PDE5A O76074 2/20 0.35
▸ ABCG2 Q9UNQ0 3/20 0.33
▸ DHFR P00374 1/20 0.32
▸ CYP1A1 P04798 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32

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
SCHEMBL12060556 1.00 SIGMAR1 (0.37) SIGMAR1PDE5AABCG2DHFRCYP1A1
SCHEMBL12060562 0.99 SIGMAR1 (0.38) SIGMAR1PDE5AABCG2DHFR
SCHEMBL12567698 0.97 SIGMAR1 (0.35) SIGMAR1PDE5AABCG2CYP1A1CYP1A2
SCHEMBL12060769 0.95 SIGMAR1 (0.36) SIGMAR1PDE5AABCG2CYP1A1CYP1A2
SCHEMBL12060264 0.95 SIGMAR1 (0.37) SIGMAR1PDE5ADHFR
SCHEMBL12060553 0.95 SIGMAR1 (0.40) SIGMAR1PDE5ADHFR
SCHEMBL12060521 0.92 SIGMAR1 (0.39) SIGMAR1DHFR
SCHEMBL12060557 0.90 ALDH1A1 (0.38) SIGMAR1PDE5AABCG2DHFR
SCHEMBL12060867 0.90 ALDH1A1 (0.38) SIGMAR1PDE5AABCG2DHFR
SCHEMBL12060561 0.90 SIGMAR1 (0.40) SIGMAR1PDE5ADHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071227-B2 Compounds and organic light emitting diode using the same LG CHEM, LTD. (KR) 2011-12-06 — — US disclosed
US-20110127495-A1 NEW COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME LG CHEM, LTD. (KR) 2011-06-02 — — US disclosed
US-7842405-B2 a fluorene derivative capable of significantly improving a lifespan, efficiency, and electrochemical and thermal stability LG CHEM, LTD. (KR) 2010-11-30 — — US disclosed
US-7816019-B2 Compound and organic light emitting device using the same LG CHEM, LTD. (KR) 2010-10-19 — — US disclosed
US-7811682-B2 Compound and organic light emitting device using the same LG CHEM, LTD. (KR) 2010-10-12 — — US disclosed
US-20100065828-A1 COMPOUNDS AND ORGANIC LIGHT EMITTING DIODE USING THE SAME LG CHEM, LTD. (KR) 2010-03-18 — — US disclosed
US-20090045721-A1 Compound and organic light emitting device using the same LG CHEM, LTD. (KR) 2009-02-19 — — US disclosed
US-20080303434-A1 Compound and Organic Light Emitting Device Using the Same LG CHEM, LTD. (KR) 2008-12-11 — — US disclosed
US-20080093982-A1 Compound and Organic Light Emitting Device Using the Same LG CHEM, LTD. (KR) 2008-04-24 — — 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 (3 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-20110127495-A1 NEW COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME PPOX, CYBA, CRY1 SIGMAR1 3635/4885PDE5A 3661/4885ABCG2 1935/4885
US-20080303434-A1 Compound and Organic Light Emitting Device Using the Same PPOX, CRY1, CRY2 SIGMAR1 4092/4885PDE5A 3095/4885ABCG2 3199/4885
US-20100065828-A1 COMPOUNDS AND ORGANIC LIGHT EMITTING DIODE USING THE SAME VDAC1, PER2, PPOX SIGMAR1 1904/4885PDE5A 2389/4885ABCG2 2519/4885

“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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