SCHEMBL20150604

SCHEMBL20150604

Cc1ccc2c(c1)Oc1cc(C)ccc1[Si]2(c1ccccc1)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3cccc4ccccc34)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
ENPP3 O14638 1/20 0.35
ENPP1 P22413 1/20 0.35
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
PPARG P37231 7/20 0.32
PPARA Q07869 7/20 0.32
CHRNB4 P30926 2/20 0.31
CHRNA3 P32297 2/20 0.31
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
CHRNA4 P43681 1/20 0.31
SLC6A3 Q01959 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
SCHEMBL20150622 0.95 MAOA (0.33) MAOBMAOAENPP3ENPP1CA12
SCHEMBL20150617 0.88 MAOA (0.33) MAOBMAOAENPP3ENPP1MCL1
SCHEMBL20150602 0.87 CA12 (0.36) ENPP3ENPP1CA12CA1CA2
SCHEMBL20150615 0.84 CA12 (0.34) ENPP3ENPP1CA12CA1CA2
SCHEMBL20150610 0.83 CA12 (0.36) ENPP3ENPP1CA12CA1CA2
SCHEMBL20150640 0.82 ENPP1 (0.37) ENPP3ENPP1CA12CA1CA2
SCHEMBL24644173 0.80 MCL1 (0.33) ENPP3ENPP1CA12CA1CA2
SCHEMBL20150611 0.80 CA12 (0.37) ENPP3ENPP1CA12CA1CA2
SCHEMBL20150597 0.80 CA12 (0.34) ENPP3ENPP1CA12CA1CA2
SCHEMBL20150623 0.80 CA12 (0.34) ENPP3ENPP1CA12CA1CA2

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-10550134-B2 Heterocyclic compound and organic electroluminescence device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2020-02-04 US disclosed
US-20180134732-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-05-17 US disclosed
US-20180134732-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-05-17 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-10550134-B2 Heterocyclic compound and organic electroluminescence device including the same ODC1, KCNC1, KCNH1 MAOB 581/4885MAOA 371/4885ENPP3 2429/4885
US-20180134732-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME ODC1, KCNC1, KCNH1 MAOB 581/4885MAOA 371/4885ENPP3 2429/4885

“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.