SCHEMBL1884595

SCHEMBL1884595

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 3/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
POLB P06746 1/20 0.36
POLA1 P09884 1/20 0.36
FAAH O00519 1/20 0.34
ABCB1 P08183 1/20 0.34
CYP3A4 P08684 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BIRC2 Q13490 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PPARG P37231 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
SCHEMBL1877910 0.91 ALDH1A1 (0.38) ALDH1A1LMNATSHRPOLBPOLA1
SCHEMBL1879945 0.83 GPR84 (0.43) ALDH1A1TSHRCA2TDP1PPARG
SCHEMBL473860 0.74 ALDH1A1 (0.42) ALDH1A1LMNATSHRABCB1TDP1
SCHEMBL4633343 0.74 CA1 (0.43) LMNATSHRCA1CA2POLB
SCHEMBL28783004 0.73 TSHR (0.37) ALDH1A1TSHRFAAHMAPTSMN1; SMN2
SCHEMBL28364856 0.72 CA2 (0.41) ALDH1A1TSHRCA2FAAHMAPT
SCHEMBL1881184 0.72 GPR84 (0.38) ALDH1A1LMNATDP1SMN1; SMN2
SCHEMBL18204068 0.71 ALDH1A1 (0.40) ALDH1A1LMNATSHR
SCHEMBL1884184 0.71 ALDH1A1 (0.40) ALDH1A1LMNATSHR
SCHEMBL1220136 0.71 ALDH1A1 (0.30) 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.