SCHEMBL822818

SCHEMBL822818

c1ccc2c(c1)oc1ccc(-n3ccnc3)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.54
CYP11B2 P19099 6/20 0.54
CYP19A1 P11511 5/20 0.54
CYP3A4 P08684 2/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
IDO1 P14902 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL30843246 1.00 CYP11B1 (0.54) CYP11B1CYP11B2CYP19A1CYP3A4MEN1
SCHEMBL20732632 0.91 CYP19A1 (0.54) CYP11B1CYP11B2CYP19A1CYP3A4MEN1
SCHEMBL280507 0.88 CYP11B1 (0.48) CYP11B1CYP11B2CYP19A1CYP3A4MEN1
SCHEMBL21362327 0.84 NPC1 (0.53) CYP11B1CYP11B2CYP19A1CYP3A4IDO1
SCHEMBL23437639 0.79 CYP3A4 (0.44) CYP11B1CYP11B2CYP19A1CYP3A4MEN1
SCHEMBL21362351 0.79 CYP3A4 (0.44) CYP11B1CYP11B2CYP19A1CYP3A4MEN1
SCHEMBL258839 0.77 ALOX15 (0.42) CYP11B1CYP11B2CYP19A1CYP3A4MEN1
SCHEMBL23437641 0.76 CYP19A1 (0.46) CYP11B1CYP11B2CYP19A1CYP3A4MEN1
SCHEMBL258840 0.76 CYP17A1 (0.40) CYP11B1CYP11B2CYP19A1CYP3A4MEN1
SCHEMBL20732638 0.75 CYP19A1 (0.45) CYP11B1CYP11B2CYP19A1CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3539972-B1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2021-07-28 EP disclosed
US-20190288223-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-19 US disclosed
US-20190288223-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-19 US disclosed
EP-3539972-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Display Co., Ltd (KR) 2019-09-18 EP disclosed
US-9067919-B2 Use of dibenzofurans and dibenzothiophenes substituted by nitrogen-bonded five-membered heterocyclic rings in organic electronics BASF SE (DE) 2015-06-30 US disclosed
US-9067919-B2 Use of dibenzofurans and dibenzothiophenes substituted by nitrogen-bonded five-membered heterocyclic rings in organic electronics BASF SE (DE) 2015-06-30 US disclosed
US-20120007063-A1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS BASF SE (DE) 2012-01-12 US disclosed
US-20120007063-A1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS BASF SE (DE) 2012-01-12 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-20190288223-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME TPO, RPLP0, RPS10 CYP11B1 1731/4885CYP11B2 2294/4885CYP19A1 2501/4885
US-20120007063-A1 USE OF DIBENZOFURANS AND DIBENZOTHIOPHENES SUBSTITUTED BY NITROGEN-BONDED FIVE-MEMBERED HETEROCYCLIC RINGS IN ORGANIC ELECTRONICS DDT, DBF4, POU5F1 CYP11B1 652/4885CYP11B2 622/4885CYP19A1 2030/4885

“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.