SCHEMBL9975384

SCHEMBL9975384

CC(=O)OC[C@H]1O[C@@H](n2c(Cl)c(C(C)=O)c3cc(Cl)c(Cl)cc32)C2OC(C)(C)OC21

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.35
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ SLC15A1 P46059 1/20 0.30

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
SCHEMBL1626287 1.00 ALDH1A1 (0.35) ALDH1A1CYP2D6CYP2C19LMNATP53
SCHEMBL1626714 0.92 ALDH1A1 (0.34) ALDH1A1SLC15A1
SCHEMBL9975389 0.88 GALR3 (0.36) ALDH1A1CYP2D6CYP2C19LMNATP53
SCHEMBL1626588 0.88 GALR3 (0.36) ALDH1A1CYP2D6CYP2C19LMNATP53
SCHEMBL1627710 0.87 ALDH1A1 (0.34) ALDH1A1CYP2D6CYP2C19LMNATP53
SCHEMBL9975345 0.87 ALDH1A1 (0.34) ALDH1A1CYP2D6CYP2C19LMNATP53
SCHEMBL14087177 0.84 ALDH1A1 (0.32) ALDH1A1
SCHEMBL1625280 0.83 SLC15A1 (0.42) ALDH1A1CYP2D6CYP2C19LMNATP53
SCHEMBL12750771 0.81 ALDH1A1 (0.33) ALDH1A1CYP2D6CYP2C19SLC15A1
SCHEMBL1626133 0.81 ALDH1A1 (0.33) ALDH1A1CYP2D6CYP2C19SLC15A1

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-20120270827-A1 Indole Antiviral Compositions And Methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-25 — — US disclosed
US-8202844-B2 Indole antiviral compositions and methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-06-19 — — US disclosed
US-20110178038-A1 Indole Antiviral Compositions And Methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-21 — — US disclosed
US-7928080-B2 Indole antiviral compositions and methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-04-19 — — US disclosed
US-7625871-B2 Indole antiviral compositions and methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-12-01 — — US disclosed
US-20090281052-A1 Indole Antiviral Compositions And Methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-11-12 — — US disclosed
US-7419963-B2 Indole antiviral compositions and methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-09-02 — — US disclosed
US-20080146517-A1 Indole Antiviral Compositions And Methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-06-19 — — 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 (4 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-20090281052-A1 Indole Antiviral Compositions And Methods IDO1, IDO2, MAVS ALDH1A1 1330/4885CYP2D6 587/4885CYP2C19 734/4885
US-20120270827-A1 Indole Antiviral Compositions And Methods IDO1, IDO2, MAVS ALDH1A1 1330/4885CYP2D6 587/4885CYP2C19 734/4885
US-20080146517-A1 Indole Antiviral Compositions And Methods IDO1, IDO2, MAVS ALDH1A1 1330/4885CYP2D6 587/4885CYP2C19 734/4885
US-20110178038-A1 Indole Antiviral Compositions And Methods IDO1, IDO2, MAVS ALDH1A1 1330/4885CYP2D6 587/4885CYP2C19 734/4885

“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.

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