SCHEMBL17703146

SCHEMBL17703146

c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccccc3-c3cccc4c3oc3c(-c5ccccc5)cccc34)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ ENPP3 O14638 1/20 0.36
▸ ENPP1 P22413 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL17703144 0.99 ENPP3 (0.37) CA12CA1CA2CA9ENPP3
SCHEMBL19103123 0.94 MCL1 (0.38) CA12CA1CA2CA9ENPP3
SCHEMBL27302841 0.94 CYP1A1 (0.38) CA12CA1CA2CA9ENPP3
SCHEMBL24751130 0.94 ENPP3 (0.36) CA12CA1CA2CA9ENPP3
SCHEMBL17703150 0.94 CA12 (0.40) CA12CA1CA2CA9ENPP3
SCHEMBL17703129 0.94 CA12 (0.40) CA12CA1CA2CA9ENPP3
SCHEMBL17703143 0.93 ALOX5 (0.38) KDM4EALDH1A1TP53TSHRNFKB1
SCHEMBL23238175 0.93 CA12 (0.40) CA12CA1CA2CA9ENPP3
SCHEMBL17703149 0.92 ENPP3 (0.38) CA12CA1CA2CA9ENPP3
SCHEMBL17703112 0.92 ENPP3 (0.38) CA12CA1CA2CA9ENPP3

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-20210305515-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2021-09-30 — — US disclosed
US-11050025-B2 Material for organic electroluminescent device and organic electroluminescent device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2021-06-29 — — US disclosed
US-9590186-B2 Material for organic electroluminescent device and organic electroluminescent device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-03-07 — — US disclosed
US-9590186-B2 Material for organic electroluminescent device and organic electroluminescent device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-03-07 — — US disclosed
US-20160197283-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-07 — — US disclosed
US-20160197283-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-07 — — US disclosed
US-20160118597-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-28 — — US disclosed
US-20160118597-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-28 — — US disclosed
US-9061060-B2 Deuterated benzylbenzene derivatives and methods of use THERACOS INC. (US) 2015-06-23 — — 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 (4 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-20210305515-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME PIEZO1, OCIAD1, L1CAM CA12 2646/4885CA1 2256/4885CA2 2920/4885
US-20160197283-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME PIEZO1, OCIAD1, L1CAM CA12 2646/4885CA1 2256/4885CA2 2920/4885
US-11050025-B2 Material for organic electroluminescent device and organic electroluminescent device including the same PIEZO1, OCIAD1, L1CAM CA12 2646/4885CA1 2256/4885CA2 2920/4885
US-20160118597-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME OR10J3, MCM5, MT-ND5 CA12 2745/4885CA1 3108/4885CA2 2938/4885

“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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