SCHEMBL14733435

SCHEMBL14733435

CN[C@H](CO)CCCC(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 4/20 0.39
ALDH1A1 P00352 2/20 0.39
ANPEP P15144 1/20 0.36
ENPEP Q07075 1/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 2/20 0.35
SLC1A1 P43005 1/20 0.35
CA12 O43570 1/20 0.34
CA14 Q9ULX7 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RECQL P46063 1/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 1/20 0.34
GLA P06280 1/20 0.34
PABPC1 P11940 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
HTT P42858 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
SCHEMBL2758953 0.88 TSHR (0.48) TSHRL3MBTL1LMNAALDH1A1ANPEP
SCHEMBL8861959 0.88 TSHR (0.48) TSHRL3MBTL1LMNAALDH1A1ANPEP
SCHEMBL14733432 0.85 TSHR (0.52) TSHRL3MBTL1LMNAALDH1A1ANPEP
SCHEMBL9359473 0.76 TSHR (0.56) TSHRL3MBTL1LMNAALDH1A1KMT2A
SCHEMBL12295406 0.75 TSHR (0.40) TSHRLMNAALDH1A1ANPEPENPEP
SCHEMBL12940852 0.75 TSHR (0.40) TSHRLMNAALDH1A1ANPEPENPEP
SCHEMBL2727644 0.75 CA2 (0.43) TSHRKMT2AMEN1CA12CA14
SCHEMBL10062447 0.74 TSHR (0.54) TSHRL3MBTL1LMNAALDH1A1KMT2A
SCHEMBL6113852 0.74 TSHR (0.54) TSHRL3MBTL1LMNAALDH1A1KMT2A
SCHEMBL17995275 0.74 ALDH1A1 (0.36) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 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-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 TSHR 3960/4885L3MBTL1 4642/4885LMNA 216/4885

“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.