SCHEMBL1879647

SCHEMBL1879647

C=CCCC(=O)C(C)C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
ALDH1A1 P00352 6/20 0.35
HPGD P15428 1/20 0.35
LMNA P02545 3/20 0.34
USP2 O75604 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
FAAH O00519 2/20 0.33
MGLL Q99685 1/20 0.33
HSD17B10 Q99714 1/20 0.32
ALOX15 P16050 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
SOAT1 P35610 1/20 0.31
NR1I2 O75469 1/20 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
SCHEMBL27881486 0.80 ALDH1A1 (0.33) TSHRALDH1A1LMNAUSP2CYP3A4
SCHEMBL4464348 0.80 ALDH1A1 (0.33) TSHRALDH1A1LMNAUSP2CYP3A4
SCHEMBL4939835 0.78 ALDH1A1 (0.40) TSHRALDH1A1HPGDLMNAHSD17B10
SCHEMBL10885572 0.76 ALDH1A1 (0.39) TSHRALDH1A1HPGDLMNAHSD17B10
SCHEMBL6416630 0.75 CES2 (0.41) ALDH1A1LMNAMAPTFAAH
SCHEMBL2203256 0.75 L3MBTL1 (0.43) TSHRALDH1A1HPGDLMNAUSP2
SCHEMBL11060292 0.75 CYP1A2 (0.45) TSHRALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL17021264 0.75 GABRP (0.40) ALDH1A1HPGDLMNAHSD17B10ALOX15
SCHEMBL356135 0.74
SCHEMBL515039 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TSHR 308/4885ALDH1A1 521/4885HPGD 3234/4885

“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.