SCHEMBL7606334

SCHEMBL7606334

CCOC(=O)O[C@H](OC(C)=O)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SOAT1 P35610 1/20 0.43
TSHR P16473 3/20 0.39
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
PKM P14618 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 2/20 0.34
GALR3 O60755 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL7602350 1.00 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10SOAT1TSHR
SCHEMBL7603109 1.00 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10SOAT1TSHR
SCHEMBL21871944 0.84 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10SOAT1PKM
SCHEMBL16809122 0.82 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10SOAT1TSHR
SCHEMBL16805827 0.80 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10SOAT1TSHR
SCHEMBL5987004 0.80 TSHR (0.58) ALDH1A1LMNAHSD17B10TSHRCHRM2
SCHEMBL7604426 0.79 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10SOAT1TSHR
SCHEMBL7602589 0.79 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10SOAT1TSHR
SCHEMBL5988339 0.79 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10SOAT1TSHR
SCHEMBL5987579 0.79 TSHR (0.46) ALDH1A1TSHRCHRM2CHRM4CHRM1

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
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

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 484/4885LMNA 1723/4885HSD17B10 976/4885

“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.