SCHEMBL20049751

SCHEMBL20049751

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 3/20 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
ABCC4 O15439 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 2/20 0.31

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
SCHEMBL21424367 1.00 ALDH1A1 (0.36) ALDH1A1LMNAMAPTUSP2CYP3A4
SCHEMBL21128890 1.00 ALDH1A1 (0.36) ALDH1A1LMNAMAPTUSP2CYP3A4
SCHEMBL13282214 0.95 ALDH1A1 (0.40) ALDH1A1LMNAMAPTUSP2CYP3A4
SCHEMBL23098234 0.91 TSHR (0.31) ALDH1A1LMNATSHR
SCHEMBL20049752 0.85 ALDH1A1 (0.35) ALDH1A1LMNAMAPTABCC4
SCHEMBL12555769 0.85 ALDH1A1 (0.35) ALDH1A1LMNAMAPTABCC4
SCHEMBL12555791 0.85 ALDH1A1 (0.35) ALDH1A1LMNAMAPTABCC4
SCHEMBL18426851 0.83 ALOX15 (0.34) ALDH1A1USP2HPGDTSHR
SCHEMBL20049545 0.81 ALDH1A1 (0.39) ALDH1A1LMNAMAPTUSP2CYP3A4
SCHEMBL12555789 0.81 ALDH1A1 (0.39) ALDH1A1LMNAMAPTUSP2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-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.