SCHEMBL20049545

SCHEMBL20049545

C=CCCCCCCC(C)(NC(C)C)C(=O)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 3/20 0.36
ABCC4 O15439 1/20 0.36
ACLY P53396 1/20 0.33
USP2 O75604 2/20 0.33
CYP3A4 P08684 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RECQL P46063 1/20 0.33
TSHR P16473 1/20 0.32
HPGD P15428 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
SCHEMBL12555789 1.00 ALDH1A1 (0.39) ALDH1A1LMNAMAPTABCC4ACLY
SCHEMBL12555775 1.00 ALDH1A1 (0.39) ALDH1A1LMNAMAPTABCC4ACLY
SCHEMBL12555791 0.95 ALDH1A1 (0.35) ALDH1A1LMNAMAPTABCC4
SCHEMBL20049752 0.95 ALDH1A1 (0.35) ALDH1A1LMNAMAPTABCC4
SCHEMBL12555769 0.95 ALDH1A1 (0.35) ALDH1A1LMNAMAPTABCC4
SCHEMBL17035915 0.87 TSHR (0.31) TSHR
SCHEMBL19004027 0.87 TSHR (0.31) TSHR
SCHEMBL24500943 0.86 ALDH1A1 (0.40) ALDH1A1LMNAMAPTABCC4ACLY
SCHEMBL12589116 0.86 ALDH1A1 (0.40) ALDH1A1LMNAMAPTABCC4ACLY
SCHEMBL13282214 0.86 ALDH1A1 (0.40) ALDH1A1LMNAMAPTABCC4ACLY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 3761/4885MAPT 2152/4885
US-20180100001-A1 BIFUNCTIONAL STAPLED POLYPEPTIDES AND USES THEREOF TIMCC, SPPL2B, SCTR ALDH1A1 4639/4885LMNA 3970/4885MAPT 3545/4885

“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.