SCHEMBL12567698

SCHEMBL12567698

CN(c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4ccccc34)cc2)cc1)c1cccc(N=O)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 8/20 0.35
▸ PDE5A O76074 2/20 0.33
▸ CYP1A1 P04798 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ CHKA P35790 2/20 0.32
▸ ITK Q08881 1/20 0.32
▸ ABCG2 Q9UNQ0 2/20 0.32
▸ SLC6A9 P48067 1/20 0.31

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
SCHEMBL12060769 0.99 SIGMAR1 (0.36) SIGMAR1PDE5ACYP1A1CYP1A2CYP1B1
SCHEMBL12060556 0.97 SIGMAR1 (0.37) SIGMAR1PDE5ACYP1A1CYP1A2CYP1B1
SCHEMBL12060868 0.97 SIGMAR1 (0.37) SIGMAR1PDE5ACYP1A1CYP1A2CYP1B1
SCHEMBL12060562 0.96 SIGMAR1 (0.38) SIGMAR1PDE5AITKABCG2
SCHEMBL12567697 0.93 SIGMAR1 (0.36) SIGMAR1PDE5ACYP1A1CYP1A2CYP1B1
SCHEMBL12060768 0.92 SIGMAR1 (0.37) SIGMAR1PDE5ACYP1A1CYP1A2CYP1B1
SCHEMBL12060264 0.92 SIGMAR1 (0.37) SIGMAR1PDE5A
SCHEMBL12060553 0.92 SIGMAR1 (0.40) SIGMAR1PDE5AITK
SCHEMBL12048510 0.90 SIGMAR1 (0.42) SIGMAR1PDE5ACYP1A1CYP1A2CYP1B1
SCHEMBL12060521 0.89 SIGMAR1 (0.39) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110127495-A1 NEW COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME LG CHEM, LTD. (KR) 2011-06-02 — — US disclosed
US-7816019-B2 Compound and organic light emitting device using the same LG CHEM, LTD. (KR) 2010-10-19 — — US disclosed
US-20090045721-A1 Compound and organic light emitting device using the same LG CHEM, LTD. (KR) 2009-02-19 — — 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 (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-20110127495-A1 NEW COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME PPOX, CYBA, CRY1 SIGMAR1 3635/4885PDE5A 3661/4885CYP1A1 478/4885

“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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