SCHEMBL16540887

SCHEMBL16540887

O=C(O)Cn1cc(CCCOc2cccc3ccccc23)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 18/20 1.00
TERT O14746 1/20 0.56
PTGDR2 Q9Y5Y4 1/20 0.50
BAD Q92934 1/20 0.50

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
SCHEMBL16540376 0.90 MCL1 (1.00) MCL1TERTBAD
SCHEMBL16540443 0.88 MCL1 (1.00) MCL1BAD
SCHEMBL16540567 0.87 MCL1 (1.00) MCL1
SCHEMBL16540533 0.85 MCL1 (1.00) MCL1TERT
SCHEMBL16540728 0.81 MCL1 (1.00) MCL1TERTBAD
SCHEMBL16549716 0.80 MCL1 (1.00) MCL1TERT
SCHEMBL16540084 0.79 MCL1 (1.00) MCL1TERTBAD
SCHEMBL16540454 0.79 MCL1 (1.00) MCL1TERT
SCHEMBL16549717 0.76 MCL1 (1.00) MCL1
SCHEMBL16539921 0.76 MCL1 (1.00) MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10954193-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2021-03-23 US disclosed
US-10954193-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2021-03-23 US disclosed
EP-3038618-B1 SUBSTITUTED INDOLE MCL-1 INHIBITORS UNIV VANDERBILT (US) 2020-10-14 EP disclosed
EP-3038618-B1 SUBSTITUTED INDOLE MCL-1 INHIBITORS UNIV VANDERBILT (US) 2020-10-14 EP disclosed
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease UNITY BIOTECHNOLOGY, INC. (US) 2019-02-05 US disclosed
US-20180258039-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2018-09-13 US disclosed
US-10005728-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2018-06-26 US disclosed
US-10005728-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2018-06-26 US disclosed
US-10005728-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2018-06-26 US disclosed
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 US disclosed
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 US disclosed
US-20160214934-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2016-07-28 US disclosed
US-20160214934-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2016-07-28 US disclosed
US-20160214934-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2016-07-28 US disclosed
EP-3038618-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS Vanderbilt University (US) 2016-07-06 EP disclosed
WO-2015031608-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY (US) 2015-03-05 WO disclosed
WO-2015031608-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY (US) 2015-03-05 WO 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 (6 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-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES TP53, NQO1, SHMT2 MCL1 137/4885TERT 25/4885PTGDR2 2928/4885
US-20180258039-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2, BCL2L1 MCL1 1/4885TERT 1233/4885PTGDR2 2165/4885
US-20160214934-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2, BCL2L1 MCL1 1/4885TERT 1233/4885PTGDR2 2165/4885
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease TP53, CDKN1A, GLA MCL1 8/4885TERT 10/4885PTGDR2 2531/4885
US-10005728-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2, BCL2L1 MCL1 1/4885TERT 1233/4885PTGDR2 2165/4885
US-10954193-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2, BCL2L1 MCL1 1/4885TERT 1233/4885PTGDR2 2165/4885

“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.