SCHEMBL16787258

SCHEMBL16787258

c1ccc(N(c2ccc(-c3ccc4c(c3)Oc3ccccc3O4)cc2)c2cccc3ccccc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.36
AHR P35869 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
SIRT2 Q8IXJ6 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
SCHEMBL16787278 0.97 SIGMAR1 (0.33) SIGMAR1AHRCYP1A2CYP2C19SIRT2
SCHEMBL18563220 0.92 SIGMAR1 (0.33) SIGMAR1AHRCYP1A2CYP2C19L3MBTL1
SCHEMBL12259300 0.89 SIGMAR1 (0.39) SIGMAR1AHRCYP1A2CYP2C19L3MBTL1
SCHEMBL2389599 0.89 SIGMAR1 (0.39) SIGMAR1AHRCYP1A2CYP2C19L3MBTL1
SCHEMBL24277624 0.87 KDM4E (0.34) SIGMAR1AHRCYP1A2SIRT2
SCHEMBL16786681 0.85 SIGMAR1 (0.32) SIGMAR1
SCHEMBL24277643 0.84 ESR1 (0.33)
SCHEMBL24277429 0.84
SCHEMBL16305507 0.84 SIGMAR1 (0.42) SIGMAR1CYP1A2CYP2C19L3MBTL1
SCHEMBL16305504 0.84 SIGMAR1 (0.42) SIGMAR1CYP1A2CYP2C19L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150162542-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE SAMSUNG SDI CO., LTD. (KR) 2015-06-11 US disclosed
US-20150162542-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE SAMSUNG SDI CO., LTD. (KR) 2015-06-11 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-20150162542-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE AOX1, ODC1, OR51E2 SIGMAR1 794/4885AHR 3014/4885CYP1A2 268/4885

“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.