Sugi Predict

Sugi Predict / Compounds / SCHEMBL9925458

SCHEMBL9925458

SCHEMBL9925458

CC(C)(C)c1ccc(-c2oc3ccc4c(ccc5oc(-c6ccc(C(C)(C)C)cc6)c(-c6ccccc6)c54)c3c2-c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ UBE2N P61088 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PLA2G2A P14555 1/20 0.37
▸ PLA2G4A P47712 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ AURKA O14965 1/20 0.36
▸ GPR84 Q9NQS5 1/20 0.36
▸ PTGS2 P35354 4/20 0.35
▸ ABCG2 Q9UNQ0 2/20 0.35
▸ EGFR P00533 2/20 0.35
▸ KIF11 P52732 1/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL12138091 0.92 TNK2 (0.37) TNK2KDM4EALDH1A1HPGDUBE2N
SCHEMBL9925464 0.85 TNK2 (0.49) TNK2KDM4EALDH1A1HPGDUBE2N
SCHEMBL10259761 0.80 S1PR1 (0.41) TNK2KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL28564070 0.78 MAPT (0.39) TNK2KDM4EALDH1A1HPGDUBE2N
SCHEMBL19683359 0.77 TNK2 (0.40) TNK2KDM4EALDH1A1HPGDUBE2N
SCHEMBL19683444 0.77 TNK2 (0.40) TNK2KDM4EALDH1A1HPGDUBE2N
SCHEMBL31672326 0.77 TNK2 (0.40) TNK2KDM4EALDH1A1HPGDUBE2N
SCHEMBL12138089 0.76 TNK2 (0.45) TNK2KDM4EALDH1A1HPGDUBE2N
SCHEMBL16574427 0.75 GPR84 (0.37) TNK2KDM4EALDH1A1HPGDGPR84
SCHEMBL1973940 0.73 TNKS (0.44) ALDH1A1SMN1; SMN2MEN1KMT2AGPR84

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 TNK2 3291/4885KDM4E 1158/4885ALDH1A1 2985/4885
US-20090159877-A1 ELECTROACTIVE MATERIALS RCOR3, KCNN4, MSRB3 TNK2 3291/4885KDM4E 1158/4885ALDH1A1 2985/4885

“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.