Sugi Predict

Sugi Predict / Compounds / SCHEMBL10259759

SCHEMBL10259759

SCHEMBL10259759

c1ccc(-c2oc3c(cc(-c4ccc5ccccc5c4)c4c5occ(-c6ccccc6)c5cc(-c5ccc(-c6cccc7ccccc67)cc5)c34)c2-c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.36
▸ ENPP3 O14638 1/20 0.36
▸ ENPP1 P22413 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ GPR84 Q9NQS5 1/20 0.34
▸ S1PR4 O95977 3/20 0.33
▸ S1PR5 Q9H228 3/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ ACMSD Q8TDX5 1/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CYP1A1 P04798 1/20 0.33
▸ CYP1B1 Q16678 1/20 0.33
▸ EDNRB P24530 1/20 0.32

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
SCHEMBL10259819 0.94 PIM1 (0.40) PIM1ENPP3ENPP1ALDH1A1MAPT
SCHEMBL10260202 0.94 PIM1 (0.40) PIM1ENPP3ENPP1ALDH1A1MAPT
SCHEMBL15334682 0.92 PIM1 (0.39) PIM1ENPP3ENPP1ALDH1A1MAPT
SCHEMBL10260212 0.91 PIM1 (0.40) PIM1ENPP3ENPP1ALDH1A1MAPT
SCHEMBL10267352 0.90 CA12 (0.41) PIM1ENPP3ENPP1ALDH1A1MAPT
SCHEMBL10259765 0.88 ENPP3 (0.41) ENPP3ENPP1ALDH1A1MAPTMCL1
SCHEMBL10260776 0.87 CA12 (0.40) PIM1ENPP3ENPP1ALDH1A1MAPT
SCHEMBL10259962 0.87 PIM1 (0.40) PIM1ALDH1A1MAPTGPR84S1PR4
SCHEMBL10259448 0.87 CA12 (0.43) PIM1ENPP3ENPP1ALDH1A1MAPT
SCHEMBL10259359 0.87 CA12 (0.42) ENPP3ENPP1ALDH1A1MAPTGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563972-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2013-10-22 — — US disclosed
US-8563972-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2013-10-22 — — US disclosed
US-20130248838-A1 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-09-26 — — US disclosed
US-20130248838-A1 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-09-26 — — US disclosed
US-8471251-B2 Electroactive materials E.I. DU PONT DE NEMOURS AND COMPANY (US) 2013-06-25 — — US disclosed
US-8471251-B2 Electroactive materials E.I. DU PONT DE NEMOURS AND COMPANY (US) 2013-06-25 — — US disclosed
US-20120319571-A1 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-20 — — US disclosed
US-20120319571-A1 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-20 — — US disclosed
US-8324619-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-04 — — US disclosed
US-8324619-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-04 — — US disclosed
US-20120228593-A1 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2012-09-13 — — US disclosed
US-20120228593-A1 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2012-09-13 — — US disclosed
US-8212239-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2012-07-03 — — US disclosed
US-8212239-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2012-07-03 — — US disclosed
US-20110042652-A1 ELECTROACTIVE MATERIALS E.I.DU PONT DE NEMOURS AND COMPANY 2011-02-24 — — US disclosed
US-20110042652-A1 ELECTROACTIVE MATERIALS E.I.DU PONT DE NEMOURS AND COMPANY 2011-02-24 — — 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-20120319571-A1 ELECTROACTIVE MATERIALS RCOR3, KCNN4, MSRB3 PIM1 1653/4885ENPP3 1071/4885ENPP1 3014/4885
US-20120228593-A1 ELECTROACTIVE MATERIALS RCOR3, KCNN4, MSRB3 PIM1 1653/4885ENPP3 1071/4885ENPP1 3014/4885
US-20110042652-A1 ELECTROACTIVE MATERIALS RCOR3, KCNN4, MSRB3 PIM1 1653/4885ENPP3 1071/4885ENPP1 3014/4885

“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.