SCHEMBL25822792

SCHEMBL25822792

C=CC(=O)OCCOC(=O)CCCO

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.61
ALDH1A1 P00352 5/20 0.55
TP53 P04637 3/20 0.55
HIF1A Q16665 3/20 0.55
CYP3A4 P08684 2/20 0.55
HSD17B10 Q99714 1/20 0.55
HPGD P15428 1/20 0.50
THRB P10828 2/20 0.46
DGKA P23743 1/20 0.42
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MGLL Q99685 1/20 0.38
EPHX2 P34913 1/20 0.33
CAMK2A Q9UQM7 1/20 0.33
DNM1 Q05193 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA1A P35348 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
SCHEMBL1054402 0.93 TSHR (0.57) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2534124 0.90 TSHR (0.61) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1151178 0.90 TSHR (0.61) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL18100189 0.90 TSHR (0.63) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL402912 0.90 TSHR (0.63) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL19165635 0.88 TSHR (0.65) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL19627098 0.88 TSHR (0.65) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL16405349 0.88 TSHR (0.65) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27609250 0.87 TSHR (0.59) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL4197617 0.86 TSHR (0.76) TSHRALDH1A1TP53HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212136-A1 CURABLE RESIN COMPOSITION, CURED PRODUCT, DIFFRACTIVE OPTICAL ELEMENT, AND MULTILAYER DIFFRACTIVE OPTICAL ELEMENT FUJIFILM CORPORATION (JP) 2023-07-06 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-20230212136-A1 CURABLE RESIN COMPOSITION, CURED PRODUCT, DIFFRACTIVE OPTICAL ELEMENT, AND MULTILAYER DIFFRACTIVE OPTICAL ELEMENT TERB1, RER1, LARP1 TSHR 3138/4885ALDH1A1 228/4885TP53 3328/4885

“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.