Sugi Predict

Sugi Predict / Compounds / SCHEMBL10260732

SCHEMBL10260732

SCHEMBL10260732

c1ccc(-c2c(-c3cccc4ccccc34)oc3c2ccc2c3ccc3c(-c4ccccc4)c(-c4cccc5ccccc45)oc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 3/20 0.46
▸ ALDH1A1 P00352 7/20 0.43
▸ KDM4E B2RXH2 6/20 0.43
▸ HSD17B10 Q99714 4/20 0.43
▸ MAPT P10636 4/20 0.43
▸ HPGD P15428 3/20 0.43
▸ TP53 P04637 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ ATM Q13315 2/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ABCC1 P33527 2/20 0.43
▸ ATR Q13535 1/20 0.41
▸ CYP1A2 P05177 4/20 0.41
▸ CYP1A1 P04798 3/20 0.41

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
SCHEMBL12138092 0.90 ARSA (0.40) ABCG2ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL10259449 0.82 ABCG2 (0.43) ABCG2ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL31619684 0.82 CHRM2 (0.46) ABCG2ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL24818285 0.81 ALDH1A1 (0.43) ABCG2ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL9925459 0.79 ABCG2 (0.44) ABCG2ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL27355867 0.79 ABCG2 (0.54) ABCG2ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL10259424 0.79 ALDH1A1 (0.52) ABCG2ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL22954008 0.78 L3MBTL1 (0.43) ABCG2ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL29598282 0.78 L3MBTL1 (0.43) ABCG2ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL12623224 0.78 ENPP3 (0.42) ABCG2ALDH1A1KDM4EHSD17B10MAPT

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 ABCG2 4654/4885ALDH1A1 2985/4885KDM4E 1158/4885
US-20120228593-A1 ELECTROACTIVE MATERIALS RCOR3, KCNN4, MSRB3 ABCG2 4654/4885ALDH1A1 2985/4885KDM4E 1158/4885
US-20110042652-A1 ELECTROACTIVE MATERIALS RCOR3, KCNN4, MSRB3 ABCG2 4654/4885ALDH1A1 2985/4885KDM4E 1158/4885

“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.