SCHEMBL16787196

SCHEMBL16787196

c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4Oc4ccccc4O5)cc3)c3cccc4ccccc34)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.33
ENPP3 O14638 1/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPK1 P28482 2/20 0.33
ATM Q13315 2/20 0.33
GPR84 Q9NQS5 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL16787176 0.96 SIGMAR1 (0.35) ENPP1ENPP3CA12CA1CA2
SCHEMBL16787104 0.88 AHR (0.35) ALDH1A1HPGDSMN1; SMN2L3MBTL1AHR
SCHEMBL16787048 0.86 ENPP3 (0.32) ENPP1ENPP3
SCHEMBL24643607 0.86 ENPP3 (0.32) ENPP1ENPP3
SCHEMBL24643609 0.86 ENPP3 (0.30) ENPP1ENPP3
SCHEMBL16787198 0.86 ENPP3 (0.32) ENPP1ENPP3GPR84SIGMAR1
SCHEMBL16787207 0.85 AHR (0.41) KDM4EMAPK1ATMALDH1A1MAPT
SCHEMBL24277752 0.85 KDM4E (0.37) ENPP1ENPP3CA12CA1CA2
SCHEMBL16787197 0.85 ATM (0.36) ENPP1ENPP3CA12CA1CA2
SCHEMBL16787204 0.84

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 ENPP1 1190/4885ENPP3 3421/4885CA12 3330/4885

“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.