SCHEMBL9973663

SCHEMBL9973663

CC(=O)O[C@@H]1CC2C(C)(C)C(=O)CC[C@]2(C)C2CC[C@]3(C)C(=CC(=O)O[C@H]3c3cc[nH]c3)[C@@]21C

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 11/20 0.76
▸ SLCO1B3 Q9NPD5 8/20 0.76
▸ SLCO1B1 Q9Y6L6 8/20 0.76
▸ USP2 O75604 7/20 0.76
▸ SMN1; SMN2 Q16637 4/20 0.76
▸ TP53 P04637 4/20 0.59
▸ MAPT P10636 4/20 0.59
▸ ALDH1A1 P00352 3/20 0.59
▸ TDP1 Q9NUW8 2/20 0.59
▸ HPGD P15428 1/20 0.52
▸ MAPK1 P28482 1/20 0.52

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
SCHEMBL15414716 0.86 CYP3A4 (1.00) CYP3A4SLCO1B3SLCO1B1USP2SMN1; SMN2
SCHEMBL7977568 0.85 CYP3A4 (0.75) CYP3A4SLCO1B3SLCO1B1USP2SMN1; SMN2
SCHEMBL7952357 0.85 CYP3A4 (0.68) CYP3A4SLCO1B3SLCO1B1USP2SMN1; SMN2
SCHEMBL7973092 0.84 CYP3A4 (0.76) CYP3A4SLCO1B3SLCO1B1USP2SMN1; SMN2
SCHEMBL7963869 0.84 CYP3A4 (0.76) CYP3A4SLCO1B3SLCO1B1USP2SMN1; SMN2
SCHEMBL9973651 0.83 CYP3A4 (0.77) CYP3A4SLCO1B3SLCO1B1USP2SMN1; SMN2
SCHEMBL9973665 0.83 CYP3A4 (0.69) CYP3A4SLCO1B3SLCO1B1USP2SMN1; SMN2
SCHEMBL9973664 0.82 CYP3A4 (0.69) CYP3A4SLCO1B3SLCO1B1USP2SMN1; SMN2
SCHEMBL7964651 0.81 CYP3A4 (0.73) CYP3A4SLCO1B3SLCO1B1USP2SMN1; SMN2
SCHEMBL7952355 0.80 CYP3A4 (0.68) CYP3A4SLCO1B3SLCO1B1USP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170216319-A1 Treating Various Disorders Using TrkB Agonists UNIV EMORY (US) 2017-08-03 — — US disclosed
US-20170216319-A1 Treating Various Disorders Using TrkB Agonists UNIV EMORY (US) 2017-08-03 — — US disclosed
US-20160213691-A1 Treating Various Disorders Using TrkB Agonists UNIV EMORY (US) 2016-07-28 — — US disclosed
US-20160213691-A1 Treating Various Disorders Using TrkB Agonists UNIV EMORY (US) 2016-07-28 — — US disclosed
US-8609870-B2 Treating various disorders using TrkB agonists EMORY UNIVERSITY (US) 2013-12-17 — — US disclosed
US-8609870-B2 Treating various disorders using TrkB agonists EMORY UNIVERSITY (US) 2013-12-17 — — US disclosed
US-20130131157-A1 TREATING VARIOUS DISORDERS USING TRKB AGONISTS EMORY UNIVERSITY (US) 2013-05-23 — — US disclosed
US-20130131157-A1 TREATING VARIOUS DISORDERS USING TRKB AGONISTS EMORY UNIVERSITY (US) 2013-05-23 — — US disclosed
US-20120277222-A1 TREATING VARIOUS DISORDERS USING TRKB AGONISTS EMORY UNIVERSITY (US) 2012-11-01 — — US disclosed
US-20120277222-A1 TREATING VARIOUS DISORDERS USING TRKB AGONISTS EMORY UNIVERSITY (US) 2012-11-01 — — US disclosed
US-8203009-B2 Neurotrophic activity of deoxygedunin EMORY UNIVERSITY (US) 2012-06-19 — — US disclosed
US-8203009-B2 Neurotrophic activity of deoxygedunin EMORY UNIVERSITY (US) 2012-06-19 — — US disclosed
US-20110144096-A1 TREATING VARIOUS DISORDERS USING TRKB AGONISTS EMORY UNIVERSITY (US) 2011-06-16 — — US disclosed
US-20110144096-A1 TREATING VARIOUS DISORDERS USING TRKB AGONISTS EMORY UNIVERSITY (US) 2011-06-16 — — 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 (5 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-20110144096-A1 TREATING VARIOUS DISORDERS USING TRKB AGONISTS NTRK2, BDNF, NTRK1 CYP3A4 1543/4885SLCO1B3 2965/4885SLCO1B1 3410/4885
US-20120277222-A1 TREATING VARIOUS DISORDERS USING TRKB AGONISTS NTRK2, BDNF, NTRK1 CYP3A4 1343/4885SLCO1B3 2870/4885SLCO1B1 3251/4885
US-20130131157-A1 TREATING VARIOUS DISORDERS USING TRKB AGONISTS NTRK2, BDNF, NTRK1 CYP3A4 1343/4885SLCO1B3 2870/4885SLCO1B1 3251/4885
US-20170216319-A1 Treating Various Disorders Using TrkB Agonists NTRK2, BDNF, NTRK1 CYP3A4 1343/4885SLCO1B3 2870/4885SLCO1B1 3251/4885
US-20160213691-A1 Treating Various Disorders Using TrkB Agonists NTRK2, BDNF, NTRK1 CYP3A4 1343/4885SLCO1B3 2870/4885SLCO1B1 3251/4885

“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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