SCHEMBL6561332

SCHEMBL6561332

CC(C)C[C@H](NC(=O)C1CCCCC1)C(=O)O.[NaH]

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
ALDH1A1 P00352 3/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
GAA P10253 1/20 0.51
ALOX15 P16050 1/20 0.51
PSMB5 P28074 5/20 0.50
MAPK1 P28482 1/20 0.50
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 1/20 0.46
FOLH1 Q04609 2/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL9829273 0.98 ALDH1A1 (0.54) TSHRALDH1A1KMT2AMEN1LMNA
SCHEMBL6562939 0.98 ALDH1A1 (0.54) TSHRALDH1A1KMT2AMEN1LMNA
SCHEMBL7896986 0.98 ALDH1A1 (0.54) TSHRALDH1A1KMT2AMEN1LMNA
SCHEMBL8581694 0.98 ALDH1A1 (0.54) TSHRALDH1A1KMT2AMEN1LMNA
SCHEMBL7897832 0.97 ALDH1A1 (0.56) TSHRALDH1A1KMT2AMEN1LMNA
SCHEMBL9832137 0.97 ALDH1A1 (0.56) TSHRALDH1A1KMT2AMEN1LMNA
Benzene SCHEMBL28226142 0.95 PSMB5 (0.55) TSHRALDH1A1KMT2AMEN1LMNA
SCHEMBL25045739 0.93 KMT2A (0.56) TSHRALDH1A1KMT2AMEN1LMNA
SCHEMBL7898545 0.92 SMN1; SMN2 (0.54) TSHRALDH1A1KMT2AMEN1LMNA
SCHEMBL6562866 0.91 SMN1; SMN2 (0.53) TSHRALDH1A1KMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040062773-A1 Compositions for the delivery of antigens EMISPHERE TECHNOLOGIES INC. 2004-04-01 US disclosed
EP-0784469-B1 COMPOSITIONS FOR THE DELIVERY OF ANTIGENS EMISPHERE TECH INC (US) 2004-03-24 EP disclosed
US-6610329-B2 Using acylated amino acid as carrier EMISPHERE TECHNOLOGIES INC. 2003-08-26 US disclosed
US-20020001591-A1 Compositions for the delivery of antigens EMISPHERE TECHNOLOGIES, INC. 2002-01-03 US disclosed
US-5958457-A MIXTURES OF ANTIGENS WITH ADJUVANTS AND ACYLATED AMINO ACIDS OR SALTS, POLYMERS OR SULFONATED AMINO ACIDS EMISPHERE TECHNOLOGIES, INC. (US) 1999-09-28 US disclosed
EP-0784469-A4 COMPOSITIONS FOR THE DELIVERY OF ANTIGENS EMISPHERE TECH INC (US) 1999-03-24 EP disclosed
EP-0784469-A1 COMPOSITIONS FOR THE DELIVERY OF ANTIGENS Emisphere Technologies, Inc. (US) 1997-07-23 EP disclosed
WO-1996012474-A1 COMPOSITIONS FOR THE DELIVERY OF ANTIGENS EMISPHERE TECHNOLOGIES, INC. (US) 1996-05-02 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 (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-20020001591-A1 Compositions for the delivery of antigens CD47, CD74, LY96 TSHR 2477/4885ALDH1A1 4355/4885KMT2A 1910/4885
US-20040062773-A1 Compositions for the delivery of antigens CD47, CD74, LY96 TSHR 2477/4885ALDH1A1 4355/4885KMT2A 1910/4885

“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.