SCHEMBL17973522

SCHEMBL17973522

C=C(C(=O)OCC)C(=O)OCC(CO)(CO)CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
GLO1 Q04760 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
THRB P10828 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
ALOX15 P16050 1/20 0.32
MGAM O43451 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
SCHEMBL18539082 0.86 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2TSHRCYP2D6
SCHEMBL28293945 0.81 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2TSHRCYP2D6
SCHEMBL79588 0.81 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2TSHRCYP2D6
Ammonia Solution, Strong SCHEMBL28294025 0.79 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2TSHRCYP2D6
SCHEMBL28099320 0.79 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2TSHRCYP2D6
SCHEMBL17612002 0.78 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2TP53CYP3A4MAPK1
SCHEMBL4583431 0.78 ALDH1A1 (0.39) ALDH1A1MAPTSMN1; SMN2TSHRTP53
SCHEMBL15234 0.78 TSHR (0.47) ALDH1A1SMN1; SMN2TSHRTP53CYP3A4
SCHEMBL1030890 0.78 TSHR (0.47) ALDH1A1SMN1; SMN2TSHRTP53CYP3A4
SCHEMBL17973516 0.78 ALDH1A1 (0.40) ALDH1A1MAPTSMN1; SMN2TSHRCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180222839-A1 HETEROGENEOUS CATALYTIC TRANSESTERIFICATION OF ESTER COMPOUNDS WITH GROUPS REACTIVE UNDER TRANSESTERIFICATION CONDITIONS SIRRUS, INC. 2018-08-09 US disclosed
US-9938223-B2 Catalytic transesterification of ester compounds with groups reactive under transesterification conditions SIRRUS, INC. (US) 2018-04-10 US disclosed
US-9416091-B1 Catalytic transesterification of ester compounds with groups reactive under transesterification conditions SIRRUS, INC. (US) 2016-08-16 US disclosed
US-9416091-B1 Catalytic transesterification of ester compounds with groups reactive under transesterification conditions SIRRUS, INC. (US) 2016-08-16 US disclosed
US-20160229786-A1 CATALYTIC TRANSESTERIFICATION OF ESTER COMPOUNDS WITH GROUPS REACTIVE UNDER TRANSESTERIFICATION CONDITIONS NIPPON SHOKUBAI CO., LTD. (JP) 2016-08-11 US disclosed
US-20160229786-A1 CATALYTIC TRANSESTERIFICATION OF ESTER COMPOUNDS WITH GROUPS REACTIVE UNDER TRANSESTERIFICATION CONDITIONS NIPPON SHOKUBAI CO., LTD. (JP) 2016-08-11 US disclosed
US-20160221922-A1 CATALYTIC TRANSESTERIFICATION OF ESTER COMPOUNDS WITH GROUPS REACTIVE UNDER TRANSESTERIFICATION CONDITIONS SIRRUS, INC. 2016-08-04 US disclosed
US-20160221922-A1 CATALYTIC TRANSESTERIFICATION OF ESTER COMPOUNDS WITH GROUPS REACTIVE UNDER TRANSESTERIFICATION CONDITIONS SIRRUS, INC. 2016-08-04 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 (3 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-20160229786-A1 CATALYTIC TRANSESTERIFICATION OF ESTER COMPOUNDS WITH GROUPS REACTIVE UNDER TRANSESTERIFICATION CONDITIONS NOTUM, CES1, CYP4F11 ALDH1A1 133/4885MAPT 3800/4885SMN1; SMN2 4819/4885
US-20160221922-A1 CATALYTIC TRANSESTERIFICATION OF ESTER COMPOUNDS WITH GROUPS REACTIVE UNDER TRANSESTERIFICATION CONDITIONS NOTUM, CES1, CYP4F11 ALDH1A1 133/4885MAPT 3800/4885SMN1; SMN2 4819/4885
US-20180222839-A1 HETEROGENEOUS CATALYTIC TRANSESTERIFICATION OF ESTER COMPOUNDS WITH GROUPS REACTIVE UNDER TRANSESTERIFICATION CONDITIONS NOTUM, CES1, ADH5 ALDH1A1 137/4885MAPT 3780/4885SMN1; SMN2 4803/4885

“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.