SCHEMBL18177940

SCHEMBL18177940

C=CCOP(=O)(OCC=C)C(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
ALDH1A1 P00352 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALOX15 P16050 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
CYP3A4 P08684 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 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
SCHEMBL18177936 0.96 CA12 (0.37) TSHRALDH1A1NPSR1LMNAHSD17B10
SCHEMBL18177942 0.89 TSHR (0.39) TSHRSMN1; SMN2NPC1POLBMAPT
Ammonia Solution, Strong SCHEMBL11745592 0.86 ALOX15 (0.32) ALOX15CYP2D6CYP2C9CYP2C19
SCHEMBL18177935 0.86 CYP3A4 (0.38) TSHRALDH1A1NPSR1HSD17B10SMN1; SMN2
SCHEMBL18177937 0.85 TSHR (0.39) TSHRALDH1A1LMNACYP3A4CA12
SCHEMBL18182325 0.85 TSHR (0.41) TSHRSMN1; SMN2NPC1POLBMAPT
SCHEMBL18177938 0.82 TSHR (0.49) TSHRALDH1A1NPSR1MAPTRAB9A
SCHEMBL11309586 0.81 TSHR (0.33) TSHRALDH1A1
SCHEMBL11682393 0.80 ALDH1A1 (0.33) TSHRALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL2240528 0.79 CA12 (0.47) TSHRALDH1A1LMNAHSD17B10ALOX15

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-20160315351-A1 NONAQUEOUS ELECTROLYTE SOLUTION, ELECTRICITY STORAGE DEVICE USING SAME, AND PHOSPHONOFORMIC ACID COMPOUND USED IN SAME UBE INDUSTRIES, LTD (JP) 2016-10-27 US disclosed
US-20160315351-A1 NONAQUEOUS ELECTROLYTE SOLUTION, ELECTRICITY STORAGE DEVICE USING SAME, AND PHOSPHONOFORMIC ACID COMPOUND USED IN SAME UBE INDUSTRIES, LTD (JP) 2016-10-27 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-20160315351-A1 NONAQUEOUS ELECTROLYTE SOLUTION, ELECTRICITY STORAGE DEVICE USING SAME, AND PHOSPHONOFORMIC ACID COMPOUND USED IN SAME HCN2, PHOSPHO1, HCN1 TSHR 3275/4885ALDH1A1 1285/4885NPSR1 1692/4885

“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.