Sugi Predict

Sugi Predict / Compounds / SCHEMBL9925451

SCHEMBL9925451

SCHEMBL9925451

c1ccc(-c2oc3c(-c4cccc5ccccc45)cc4c(cc(-c5cccc6ccccc56)c5oc(-c6ccccc6)c(-c6ccccc6)c54)c3c2-c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.40
▸ MAPT P10636 4/20 0.40
▸ HSD17B10 Q99714 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ TP53 P04637 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ABCG2 Q9UNQ0 5/20 0.40
▸ GPR84 Q9NQS5 1/20 0.39
▸ TNK2 Q07912 1/20 0.38
▸ ABCC1 P33527 2/20 0.37
▸ MEN1 O00255 2/20 0.36

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 0.82 ENPP3 (0.43) ALDH1A1MAPTHSD17B10KDM4EHPGD
SCHEMBL10259765 0.82 ENPP3 (0.41) ALDH1A1MAPTHSD17B10KDM4EHPGD
SCHEMBL12787508 0.81 ENPP3 (0.43) ALDH1A1MAPTHSD17B10KDM4EHPGD
SCHEMBL10259359 0.81 CA12 (0.42) ALDH1A1MAPTHSD17B10KDM4EHPGD
SCHEMBL12425495 0.81 ALDH1A1 (0.37) ALDH1A1MAPTHSD17B10KDM4EHPGD
SCHEMBL10014217 0.80 ENPP3 (0.42) ALDH1A1MAPTHSD17B10KDM4EHPGD
SCHEMBL10014213 0.79 ALDH1A1 (0.40) ALDH1A1MAPTHSD17B10KDM4EHPGD
SCHEMBL10014215 0.79 ALDH1A1 (0.40) ALDH1A1MAPTHSD17B10KDM4EHPGD
SCHEMBL10014216 0.78 CA12 (0.42) ALDH1A1MAPTABCG2GPR84ABCC1
SCHEMBL10028131 0.77 GPR84 (0.41) ALDH1A1MAPTHSD17B10KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247810-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2012-08-21 — — US disclosed
US-8247810-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2012-08-21 — — US disclosed
US-8216753-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2012-07-10 — — US disclosed
US-8216753-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2012-07-10 — — US disclosed
US-20120146013-A1 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2012-06-14 — — US disclosed
US-20120146013-A1 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2012-06-14 — — US disclosed
US-20090159877-A1 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY 2009-06-25 — — US disclosed
US-20090159877-A1 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY 2009-06-25 — — 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-20120146013-A1 ELECTROACTIVE MATERIALS RCOR3, KCNN4, MSRB3 ALDH1A1 2985/4885MAPT 4372/4885HSD17B10 3809/4885
US-20090159877-A1 ELECTROACTIVE MATERIALS RCOR3, KCNN4, MSRB3 ALDH1A1 2985/4885MAPT 4372/4885HSD17B10 3809/4885

“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.