SCHEMBL439435

SCHEMBL439435

c1ccc(-c2cc(-c3ccc(-c4cccc5ccccc45)cc3)nc3c2ccc2c(-c4ccccc4)cc(-c4ccc(-c5cccc6ccccc56)cc4)nc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.50
ENPP1 P22413 1/20 0.50
ACACA Q13085 5/20 0.47
TNF P01375 1/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
HPGD P15428 3/20 0.45
MEN1 O00255 1/20 0.45
MPI P34949 1/20 0.45
KMT2A Q03164 1/20 0.45
MCL1 Q07820 1/20 0.43
ACMSD Q8TDX5 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43

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
SCHEMBL440428 0.94 MEN1 (0.47) ENPP3ENPP1ACACATNFKDM4E
SCHEMBL13049750 0.94 ALDH1A1 (0.45) ENPP3ENPP1ACACATNFCA12
SCHEMBL13458738 0.90 MEN1 (0.47) ENPP3ENPP1ACACATNFCA12
SCHEMBL3700896 0.90 ENPP3 (0.43) ENPP3ENPP1ACACACA12CA1
SCHEMBL3357426 0.90 ALDH1A1 (0.45) ENPP3ENPP1TNFKDM4EALDH1A1
SCHEMBL3697659 0.90 MEN1 (0.49) ENPP3ENPP1TNFCA12CA1
SCHEMBL10052326 0.89 ENPP1 (0.44) ENPP3ENPP1ACACATNFCA12
SCHEMBL440444 0.88 ENPP1 (0.43) ENPP3ENPP1TNFCA12CA1
SCHEMBL12112655 0.88 ACACA (0.51) ACACAKDM4EALDH1A1MAPTHPGD
SCHEMBL16696482 0.86 DHODH (0.45) ENPP3ENPP1ACACAKDM4EALDH1A1

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 9 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

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 ENPP3 1498/4885ENPP1 2663/4885ACACA 3849/4885
US-20100207108-A1 ELECTRONIC DEVICE INCLUDING PHENANTHROLINE DERIVATIVE PAH, AHR, TYR ENPP3 1335/4885ENPP1 2696/4885ACACA 3949/4885

“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.