SCHEMBL20049752

SCHEMBL20049752

C=CCCCC(C)(NC(C)C)C(=O)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
ABCC4 O15439 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL12555769 1.00 ALDH1A1 (0.35) ALDH1A1LMNAABCC4MAPT
SCHEMBL12555791 1.00 ALDH1A1 (0.35) ALDH1A1LMNAABCC4MAPT
SCHEMBL12555789 0.95 ALDH1A1 (0.39) ALDH1A1LMNAABCC4MAPT
SCHEMBL12555775 0.95 ALDH1A1 (0.39) ALDH1A1LMNAABCC4MAPT
SCHEMBL20049545 0.95 ALDH1A1 (0.39) ALDH1A1LMNAABCC4MAPT
SCHEMBL17035915 0.92 TSHR (0.31)
SCHEMBL19004027 0.92 TSHR (0.31)
SCHEMBL24548555 0.85 ALDH1A1 (0.36) ALDH1A1LMNAABCC4MAPT
SCHEMBL21424367 0.85 ALDH1A1 (0.36) ALDH1A1LMNAABCC4MAPT
SCHEMBL21128890 0.85 ALDH1A1 (0.36) ALDH1A1LMNAABCC4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022129630-A1 G PROTEIN PEPTIDOMIMETICS VRIJE UNIVERSITEIT BRUSSEL (BE) 2022-06-23 WO disclosed
US-20220177522-A1 PROLINE-LOCKED STAPLED PEPTIDES AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-06-09 US disclosed
US-11332496-B2 Stapled and stitched polypeptides and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-05-17 US disclosed
US-10919936-B2 2021-02-16 US disclosed
US-20190202862-A1 STAPLED AND STITCHED POLYPEPTIDES AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2019-07-04 US disclosed
US-10301351-B2 Stitched polypeptides PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-05-28 US disclosed
US-20180100001-A1 BIFUNCTIONAL STAPLED POLYPEPTIDES AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-04-12 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 (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-10301351-B2 Stitched polypeptides VIP, IAPP, NGLY1 ALDH1A1 4098/4885LMNA 3761/4885ABCC4 3682/4885
US-20220177522-A1 PROLINE-LOCKED STAPLED PEPTIDES AND USES THEREOF PRAP1, PRR12, NPPA ALDH1A1 3816/4885LMNA 570/4885ABCC4 4429/4885
US-20180100001-A1 BIFUNCTIONAL STAPLED POLYPEPTIDES AND USES THEREOF TIMCC, SPPL2B, SCTR ALDH1A1 4639/4885LMNA 3970/4885ABCC4 4468/4885
US-10919936-B2 VIP, NGLY1, F12 ALDH1A1 4506/4885LMNA 189/4885ABCC4 1333/4885
US-20190202862-A1 STAPLED AND STITCHED POLYPEPTIDES AND USES THEREOF VIP, NGLY1, IAPP ALDH1A1 4451/4885LMNA 391/4885ABCC4 3035/4885
US-11332496-B2 Stapled and stitched polypeptides and uses thereof VIP, NGLY1, IAPP ALDH1A1 4451/4885LMNA 391/4885ABCC4 3035/4885

“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.