SCHEMBL7602379

SCHEMBL7602379

COCCCC(OC(C)=O)OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
TSHR P16473 3/20 0.37
TRPV1 Q8NER1 1/20 0.35
SMPD1 P17405 3/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
GALR3 O60755 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
ALOX15 P16050 1/20 0.31
DDAH1 O94760 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
SCHEMBL17014686 0.86 TSHR (0.40) ALDH1A1TSHRTRPV1CHRM2CHRM4
SCHEMBL2230506 0.84 TSHR (0.46) ALDH1A1TSHRTRPV1CHRM2CHRM4
SCHEMBL10786488 0.81 TSHR (0.43) ALDH1A1TSHRTRPV1CHRM2CHRM4
SCHEMBL4435634 0.81 TSHR (0.45) ALDH1A1TSHRTRPV1CHRM2CHRM4
Acetic Acid SCHEMBL9577695 0.79 TSHR (0.34) TSHRTRPV1CHRM2CHRM4CHRM1
SCHEMBL10782810 0.78 TSHR (0.50) ALDH1A1TSHRTRPV1CHRM2CHRM4
SCHEMBL29563402 0.78 TSHR (0.33) TSHRTRPV1CHRM2CHRM4CHRM1
SCHEMBL11140994 0.77 ALDH1A1 (0.44) ALDH1A1TSHRSMPD1
SCHEMBL17829977 0.77 TSHR (0.40) ALDH1A1TSHRTRPV1CHRM2CHRM4
SCHEMBL27781433 0.77 TSHR (0.43) ALDH1A1TSHRTRPV1CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
EP-2447264-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-05-02 EP disclosed
WO-2010150840-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE 大日本住友製薬株式会社 (JP) 2010-12-29 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 (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-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 ALDH1A1 484/4885TSHR 1316/4885TRPV1 2161/4885

“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.