SCHEMBL10014217

SCHEMBL10014217

c1ccc(-c2oc3c(-c4cccc5ccccc45)c4c(-c5ccccc5)c(-c5ccccc5)oc4c(-c4ccc(-c5cccc6ccccc56)cc4)c3c2-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.42
ENPP1 P22413 1/20 0.42
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL10014194 0.97 ENPP3 (0.43) ENPP3ENPP1CYP2C9CYP2C19CYP1A2
SCHEMBL12787508 0.93 ENPP3 (0.43) ENPP3ENPP1CYP2C9CYP2C19CYP1A2
SCHEMBL10014213 0.90 ALDH1A1 (0.40) ENPP3ENPP1CYP2C9CYP2C19CYP1A2
SCHEMBL10014215 0.90 ALDH1A1 (0.40) CYP2C9CYP2C19CYP1A2KDM4EALDH1A1
SCHEMBL10014216 0.89 CA12 (0.42) ENPP3ENPP1CYP2C9CYP2C19CYP1A2
SCHEMBL10014218 0.87 ALDH1A1 (0.40) ENPP3ENPP1CYP2C9CYP2C19CYP1A2
SCHEMBL12425495 0.84 ALDH1A1 (0.37) ENPP3ENPP1CYP2C9CYP2C19CYP1A2
SCHEMBL12623224 0.83 ENPP3 (0.42) ENPP3ENPP1CYP2C9CYP2C19CYP1A2
SCHEMBL10259765 0.82 ENPP3 (0.41) ENPP3ENPP1CYP2C9CYP2C19CYP1A2
SCHEMBL10259359 0.81 CA12 (0.42) ENPP3ENPP1CYP2C9CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9871211-B2 Electroactive materials EI DU PONT DE NEMOURS AND COMPANY (US) 2018-01-16 US disclosed
US-9871211-B2 Electroactive materials EI DU PONT DE NEMOURS AND COMPANY (US) 2018-01-16 US disclosed
US-20170338423-A9 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2017-11-23 US disclosed
US-20170338423-A9 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2017-11-23 US disclosed
US-20130248839-A1 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-09-26 US disclosed
US-20130248839-A1 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-09-26 US disclosed
US-8470960-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2013-06-25 US disclosed
US-8470960-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2013-06-25 US disclosed
US-20120074396-A1 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-29 US disclosed
US-20120074396-A1 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-29 US disclosed
US-8115200-B2 Electroactive materials E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-02-14 US disclosed
US-8115200-B2 Electroactive materials E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-02-14 US disclosed
US-20110049477-A1 ELECTROACTIVE MATERIALS E I. DU PONT DE NEMOURS AND COMPANY (US) 2011-03-03 US disclosed
US-20110049477-A1 ELECTROACTIVE MATERIALS E I. DU PONT DE NEMOURS AND COMPANY (US) 2011-03-03 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 (3 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-20110049477-A1 ELECTROACTIVE MATERIALS KCNN4, KCNN3, HCN3 ENPP3 484/4885ENPP1 2358/4885CYP2C9 2461/4885
US-20170338423-A9 ELECTROACTIVE MATERIALS KCNN4, RCOR3, HCN4 ENPP3 835/4885ENPP1 2623/4885CYP2C9 2689/4885
US-20120074396-A1 ELECTROACTIVE MATERIALS KCNN4, RCOR3, HCN4 ENPP3 835/4885ENPP1 2623/4885CYP2C9 2689/4885

“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.