SCHEMBL18968973

SCHEMBL18968973

c1ccc(C2(c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc3)c3cccc4oc5cccc2c5c34)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.34
ENPP3 O14638 1/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
CHRNA7 P36544 1/20 0.34
PPARG P37231 7/20 0.33
PPARA Q07869 7/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
SLC6A2 P23975 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
SCHEMBL18969004 0.99 CA12 (0.36) ENPP1ENPP3CA12CA1CA2
SCHEMBL18969012 0.98 CA12 (0.35) ENPP1ENPP3CA12CA1CA2
SCHEMBL18968984 0.98 CA12 (0.35) ENPP1ENPP3CA12CA1CA2
SCHEMBL18968990 0.93 ENPP3 (0.32) ENPP1ENPP3CA12CA1CA2
SCHEMBL18968952 0.93 MCL1 (0.34) ENPP1ENPP3CA12CA1CA2
SCHEMBL18968992 0.93 MCL1 (0.33) ENPP1ENPP3CA12CA1CA2
SCHEMBL18969014 0.92 CA12 (0.33) ENPP1ENPP3CA12CA1CA2
SCHEMBL18969000 0.92 CA12 (0.38) ENPP1ENPP3CA12CA1CA2
SCHEMBL18969009 0.92 CA12 (0.38) ENPP1ENPP3CA12CA1CA2
SCHEMBL18968947 0.91 CA12 (0.35) ENPP1ENPP3CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10361374-B2 Amine compound and organic light emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2019-07-23 US disclosed
US-20170170402-A1 AMINE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-15 US disclosed
US-20170170402-A1 AMINE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-15 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 (2 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-20170170402-A1 AMINE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME AOC2, MAOA, AOC3 ENPP1 2454/4885ENPP3 4039/4885CA12 4774/4885
US-10361374-B2 Amine compound and organic light emitting device including the same AOC2, MAOA, AOC3 ENPP1 2454/4885ENPP3 4039/4885CA12 4774/4885

“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.