Sugi Predict

Sugi Predict / Compounds / SCHEMBL9925464

SCHEMBL9925464

SCHEMBL9925464

c1ccc(-c2oc3ccc4c(ccc5oc(-c6ccccc6)c(-c6ccccc6)c54)c3c2-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 1/20 0.49
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ ABCG2 Q9UNQ0 3/20 0.42
▸ PLA2G2A P14555 1/20 0.42
▸ PLA2G4A P47712 1/20 0.42
▸ HSD17B10 Q99714 5/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ ALOX15 P16050 4/20 0.42
▸ KDM4E B2RXH2 5/20 0.41
▸ CYP3A4 P08684 4/20 0.41
▸ HPGD P15428 4/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ADORA3 P0DMS8 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ DDR2 Q16832 1/20 0.41
▸ CA12 O43570 1/20 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
SCHEMBL12138089 0.89 TNK2 (0.45) TNK2MEN1KMT2AHSP90AA1ABCG2
SCHEMBL19683359 0.87 TNK2 (0.40) TNK2MEN1KMT2AHSP90AA1ABCG2
SCHEMBL19683444 0.87 TNK2 (0.40) TNK2MEN1KMT2AHSP90AA1ABCG2
SCHEMBL31672326 0.87 TNK2 (0.40) TNK2MEN1KMT2AHSP90AA1ABCG2
SCHEMBL9925458 0.85 TNK2 (0.39) TNK2MEN1KMT2AHSP90AA1ABCG2
SCHEMBL22954022 0.81 ABCG2 (0.46) TNK2MEN1KMT2AHSP90AA1ABCG2
SCHEMBL9925459 0.79 ABCG2 (0.44) MEN1KMT2AABCG2HSD17B10ALDH1A1
SCHEMBL12138091 0.78 TNK2 (0.37) TNK2MEN1KMT2AHSP90AA1PLA2G2A
SCHEMBL9925463 0.78 CDK1 (0.39) TNK2MEN1KMT2AABCG2ALDH1A1
SCHEMBL592430 0.77 CA1 (0.55) MEN1KMT2AABCG2PLA2G2APLA2G4A

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 3291/4885MEN1 2402/4885KMT2A 958/4885
US-20090159877-A1 ELECTROACTIVE MATERIALS RCOR3, KCNN4, MSRB3 TNK2 3291/4885MEN1 2402/4885KMT2A 958/4885

“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.