SCHEMBL441720

SCHEMBL441720

c1ccc(-c2cccc(-c3cc(-c4ccccc4)c4ccc5c(-c6ccccc6)cc(-c6cccc(-c7ccccc7)c6)nc5c4n3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 4/20 0.42
TOP1 P11387 2/20 0.41
CYP19A1 P11511 1/20 0.41
IMPDH2 P12268 1/20 0.41
KMO O15229 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39

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
SCHEMBL13458904 0.98 ACACA (0.44) ACACATOP1CYP19A1IMPDH2ESR1
SCHEMBL25850698 0.91 TOP1 (0.46) ACACATOP1ADORA3ADORA2AADORA1
SCHEMBL3698074 0.89 ACACA (0.50) ACACATOP1ADORA2AADORA1MEN1
SCHEMBL17899330 0.89 ACACA (0.50) ACACATOP1ADORA2AADORA1MEN1
SCHEMBL3358457 0.89 ACACA (0.50) ACACATOP1ADORA2AADORA1MEN1
SCHEMBL3358750 0.89 ACACA (0.50) ACACATOP1ADORA2AADORA1MEN1
SCHEMBL1745982 0.89 ACACA (0.50) ACACATOP1ADORA2AADORA1MEN1
SCHEMBL23942 0.88 TOP1 (0.50) ACACATOP1ADORA3ADORA2AADORA1
SCHEMBL23434628 0.87 CYP19A1 (0.42) ACACATOP1CYP19A1ADORA3ADORA2A
SCHEMBL23434341 0.87 CYP19A1 (0.42) ACACATOP1CYP19A1ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436341-B2 Electronic device including phenanthroline derivative E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-07 US disclosed
US-8436341-B2 Electronic device including phenanthroline derivative E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-07 US disclosed
US-8309731-B2 Electronic device including phenanthroline derivative E I DU PONT DE NEMOURS AND COMPANY (US) 2012-11-13 US disclosed
US-8309731-B2 Electronic device including phenanthroline derivative E I DU PONT DE NEMOURS AND COMPANY (US) 2012-11-13 US disclosed
US-20120065402-A1 ELECTRONIC DEVICE INCLUDING PHENANTHROLINE DERIVATIVE E.I.DU PONT DE NEMOURS AND COMPANY (US) 2012-03-15 US disclosed
US-20120065402-A1 ELECTRONIC DEVICE INCLUDING PHENANTHROLINE DERIVATIVE E.I.DU PONT DE NEMOURS AND COMPANY (US) 2012-03-15 US disclosed
US-20100207108-A1 ELECTRONIC DEVICE INCLUDING PHENANTHROLINE DERIVATIVE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-08-19 US disclosed
US-20100207108-A1 ELECTRONIC DEVICE INCLUDING PHENANTHROLINE DERIVATIVE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-08-19 US disclosed
WO-2010075379-A2 ELECTRONIC DEVICE INCLUDING PHENANTHROLINE DERIVATIVE E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-01 WO disclosed
EP-1097981-B1 Organic electroluminescent device SONY CORP (JP) 2010-04-14 EP disclosed
US-7186469-B2 Bathophenanthroline compound and EL device SONY CORPORATION (JP) 2007-03-06 US disclosed
US-7186469-B2 Bathophenanthroline compound and EL device SONY CORPORATION (JP) 2007-03-06 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-20120065402-A1 ELECTRONIC DEVICE INCLUDING PHENANTHROLINE DERIVATIVE PAH, AHR, TYR ACACA 3849/4885TOP1 1475/4885CYP19A1 524/4885
US-20100207108-A1 ELECTRONIC DEVICE INCLUDING PHENANTHROLINE DERIVATIVE PAH, AHR, TYR ACACA 3949/4885TOP1 1646/4885CYP19A1 553/4885

“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.