SCHEMBL1877910

SCHEMBL1877910

C=CCC(CCC)C(O)CC(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.32
POLA1 P09884 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ZDHHC7 Q9NXF8 1/20 0.30
ABCB1 P08183 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
SCHEMBL1884595 0.91 ALDH1A1 (0.39) ALDH1A1LMNATSHRPOLBPOLA1
SCHEMBL1881184 0.81 GPR84 (0.38) ALDH1A1LMNATAS1R3TAS1R1
SCHEMBL473860 0.76 ALDH1A1 (0.42) ALDH1A1LMNATSHRABCB1
SCHEMBL28647767 0.75 ZDHHC7 (0.40) ALDH1A1LMNATSHRTAS1R3TAS1R1
SCHEMBL1884184 0.73 ALDH1A1 (0.40) ALDH1A1LMNATSHR
SCHEMBL18204068 0.73 ALDH1A1 (0.40) ALDH1A1LMNATSHR
SCHEMBL976764 0.73 ALDH1A1 (0.46) ALDH1A1LMNATSHRPOLBPOLA1
SCHEMBL18076264 0.73 ALDH1A1 (0.46) ALDH1A1LMNATSHRPOLBPOLA1
SCHEMBL1886494 0.73 ALDH1A1 (0.37) ALDH1A1LMNAABCB1
SCHEMBL473862 0.72 GAA (0.36) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2657219-A1 Intermediate for producing bicyclic y-amino acid derivative Daiichi Sankyo Company, Limited (JP) 2013-10-30 EP disclosed
EP-2192109-B1 BICYCLIC -AMINO ACID DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-09-04 EP disclosed
US-7947738-B2 Bicyclic γ-amino acid derivative DAIICHI SANKYO COMPANY, LTD. (JP) 2011-05-24 US disclosed
US-20100249229-A1 BICYCLIC gamma-AMINO ACID DERIVATIVE DAIICHI SANKYO COMPANY, LTD. (JP) 2010-09-30 US disclosed
EP-2192109-A1 BICYCLIC -AMINO ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-06-02 EP 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-20100249229-A1 BICYCLIC gamma-AMINO ACID DERIVATIVE GLRA2, GLRB, BCAT1 ALDH1A1 521/4885LMNA 2607/4885TSHR 308/4885

“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.