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Sugi Predict / Compounds / SCHEMBL13216570

SCHEMBL13216570

SCHEMBL13216570

CC(C)(C)c1cccc(Oc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ MAPT P10636 2/20 0.48
▸ KIF11 P52732 2/20 0.48
▸ LTA4H P09960 1/20 0.48
▸ TEAD1 P28347 1/20 0.47
▸ L3MBTL1 Q9Y468 4/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.46
▸ PPARG P37231 2/20 0.46
▸ PPARA Q07869 1/20 0.46
▸ P2RY1 P47900 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ ABCG2 Q9UNQ0 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ ADORA2A P29274 1/20 0.43

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
SCHEMBL22889046 0.91 LTA4H (0.48) CYP2C9CYP2C19CYP3A4MAPTKIF11
SCHEMBL12731717 0.91 LTA4H (0.51) MAPTKIF11LTA4HL3MBTL1ALDH1A1
SCHEMBL18118971 0.90 CYP3A4 (0.59) CYP2C9CYP2C19CYP3A4MAPTKIF11
SCHEMBL9798371 0.90 LTA4H (0.54) CYP2C9CYP2C19MAPTKIF11LTA4H
SCHEMBL25906303 0.89 CYP3A4 (0.51) CYP2C9CYP2C19CYP3A4MAPTKIF11
SCHEMBL15576545 0.88 CYP3A4 (0.57) CYP2C9CYP2C19CYP3A4MAPTKIF11
SCHEMBL27579381 0.86 LTA4H (0.59) CYP2C9CYP2C19MAPTKIF11LTA4H
SCHEMBL17472481 0.85 MAPK1 (0.47) CYP2C9CYP2C19CYP3A4MAPTKIF11
SCHEMBL24999539 0.84 L3MBTL1 (0.51) CYP2C9CYP2C19CYP3A4MAPTKIF11
SCHEMBL5671239 0.84 CYP2C9 (0.54) CYP2C9CYP2C19CYP3A4MAPTLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713335-B2 Aminocoumarin compounds and methods of their use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-08-01 — — US disclosed
US-11713335-B2 Aminocoumarin compounds and methods of their use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-08-01 — — US disclosed
US-20210009621-A1 AMINOCOUMARIN COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2021-01-14 — — US disclosed
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 — — US disclosed
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 — — US disclosed
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 — — US disclosed
US-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof ROSKAMP RESEARCH LLC (US) 2008-03-06 — — US disclosed
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-16 — — US disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 — — US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 — — 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 (8 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-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof APP, PSEN1, PSEN2 CYP2C9 4840/4885CYP2C19 4841/4885CYP3A4 4253/4885
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 CYP2C9 4440/4885CYP2C19 4426/4885CYP3A4 3885/4885
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 CYP2C9 4440/4885CYP2C19 4426/4885CYP3A4 3885/4885
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 CYP2C9 4440/4885CYP2C19 4426/4885CYP3A4 3885/4885
US-20210009621-A1 AMINOCOUMARIN COMPOUNDS AND METHODS OF THEIR USE AAAS, PROC, AADAC CYP2C9 37/4885CYP2C19 78/4885CYP3A4 122/4885
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 CYP2C9 4440/4885CYP2C19 4426/4885CYP3A4 3885/4885
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 CYP2C9 4440/4885CYP2C19 4426/4885CYP3A4 3885/4885
US-11713335-B2 Aminocoumarin compounds and methods of their use AAAS, PROC, AADAC CYP2C9 37/4885CYP2C19 78/4885CYP3A4 122/4885

“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.