Sugi Predict

Sugi Predict / Compounds / SCHEMBL10259449

SCHEMBL10259449

SCHEMBL10259449

c1ccc(-c2c(-c3ccc(-c4cccc5ccccc45)cc3)oc3c2ccc2c3ccc3c(-c4ccccc4)c(-c4ccc5ccccc5c4)oc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 6/20 0.43
▸ CYP1A1 P04798 4/20 0.43
▸ CYP1B1 Q16678 4/20 0.43
▸ PIM1 P11309 2/20 0.41
▸ ABCC1 P33527 4/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ CYP1A2 P05177 3/20 0.39
▸ ABCB1 P08183 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ PDE5A O76074 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP2B6 P20813 1/20 0.39
▸ TACR2 P21452 1/20 0.39

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
SCHEMBL15334680 0.91 ABCG2 (0.39) ABCG2CYP1A1CYP1B1PIM1ABCC1
SCHEMBL10260212 0.88 PIM1 (0.40) ABCG2CYP1A1CYP1B1PIM1ABCC1
SCHEMBL15334682 0.87 PIM1 (0.39) ABCG2CYP1A1CYP1B1PIM1ALDH1A1
SCHEMBL10259819 0.85 PIM1 (0.40) ABCG2CYP1A1CYP1B1PIM1ALDH1A1
SCHEMBL10260202 0.85 PIM1 (0.40) ABCG2CYP1A1CYP1B1PIM1ALDH1A1
SCHEMBL10014218 0.85 ALDH1A1 (0.40) ABCG2CYP1A1CYP1B1PIM1ALDH1A1
SCHEMBL10014213 0.85 ALDH1A1 (0.40) ABCG2CYP1A1CYP1B1PIM1ABCC1
SCHEMBL10267352 0.84 CA12 (0.41) ABCG2CYP1A1CYP1B1PIM1ABCC1
SCHEMBL10014216 0.84 CA12 (0.42) ABCG2CYP1A1CYP1B1PIM1ABCC1
SCHEMBL10260776 0.83 CA12 (0.40) CYP1A1CYP1B1PIM1ALDH1A1MAPT

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 4654/4885CYP1A1 2551/4885CYP1B1 3720/4885
US-20120228593-A1 ELECTROACTIVE MATERIALS RCOR3, KCNN4, MSRB3 ABCG2 4654/4885CYP1A1 2551/4885CYP1B1 3720/4885
US-20110042652-A1 ELECTROACTIVE MATERIALS RCOR3, KCNN4, MSRB3 ABCG2 4654/4885CYP1A1 2551/4885CYP1B1 3720/4885

“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.