SCHEMBL18028050

SCHEMBL18028050

C=CCCCCCC[C@@](C)(NCC)C(=O)CC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.37
MAPT P10636 3/20 0.37
ABCC4 O15439 1/20 0.37
ACLY P53396 1/20 0.34
USP2 O75604 2/20 0.31
CYP3A4 P08684 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
RECQL P46063 1/20 0.31
LPAR2 Q9HBW0 1/20 0.30
LPAR3 Q9UBY5 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL18028052 0.95 ALDH1A1 (0.36) ALDH1A1LMNATSHRMAPTABCC4
SCHEMBL18426952 0.86 ALDH1A1 (0.41) ALDH1A1LMNATSHRMAPTABCC4
SCHEMBL21128960 0.86 ALDH1A1 (0.41) ALDH1A1LMNATSHRMAPTABCC4
SCHEMBL16629082 0.83 ALDH1A1 (0.39) ALDH1A1LMNATSHRMAPTABCC4
SCHEMBL24501058 0.80 ALDH1A1 (0.37) ALDH1A1LMNATSHRMAPTABCC4
SCHEMBL18773774 0.79 TSHR (0.38) ALDH1A1LMNATSHRMAPTABCC4
SCHEMBL18028053 0.77 ALDH1A1 (0.37) ALDH1A1LMNATSHRMAPTABCC4
SCHEMBL20878370 0.77 ALDH1A1 (0.36) ALDH1A1LMNATSHRMAPTABCC4
SCHEMBL13282102 0.76 ALDH1A1 (0.43) ALDH1A1LMNATSHRMAPTABCC4
SCHEMBL18747143 0.76 ALDH1A1 (0.43) ALDH1A1LMNATSHRMAPTABCC4

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-20160244494-A1 STABILIZED POLYPEPTIDES AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-08-25 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-20160244494-A1 STABILIZED POLYPEPTIDES AND USES THEREOF JAK2, STAT5A, STAT3 ALDH1A1 4698/4885LMNA 4344/4885TSHR 1222/4885

“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.