SCHEMBL20150622

SCHEMBL20150622

Cc1ccc2c(c1)Oc1cc(C)ccc1[Si]2(c1ccccc1)c1ccc2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)ccc2c1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
ENPP3 O14638 1/20 0.32
ENPP1 P22413 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
PPARG P37231 7/20 0.31
PPARA Q07869 7/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PPARD Q03181 1/20 0.31
MCL1 Q07820 1/20 0.30
ACMSD Q8TDX5 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 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
SCHEMBL20150604 0.95 MAOB (0.35) MAOAMAOBENPP3ENPP1CA12
SCHEMBL20150615 0.89 CA12 (0.34) ENPP3ENPP1CA12CA1CA2
SCHEMBL20150617 0.87 MAOA (0.33) MAOAMAOBENPP3ENPP1MCL1
SCHEMBL20150610 0.83 CA12 (0.36) ENPP3ENPP1CA12CA1CA2
SCHEMBL20150614 0.83 ENPP3 (0.32) MAOAMAOBENPP3ENPP1PPARG
SCHEMBL20150602 0.83 CA12 (0.36) ENPP3ENPP1CA12CA1CA2
SCHEMBL20150608 0.82 PPARG (0.33) PPARGPPARACYP2C9CYP2C19PPARD
SCHEMBL20150616 0.81 CA12 (0.30) CA12CA1CA2CA9PPARG
SCHEMBL20150611 0.81 CA12 (0.37) ENPP3ENPP1CA12CA1CA2
SCHEMBL20150609 0.80 S1PR5 (0.32) PPARGPPARACYP2C9CYP2C19PPARD

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 MAOA 371/4885MAOB 581/4885ENPP3 2429/4885
US-20180134732-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME ODC1, KCNC1, KCNH1 MAOA 371/4885MAOB 581/4885ENPP3 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.