SCHEMBL7690120

SCHEMBL7690120

C=CCOC(=O)CC(=O)CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39
MAPT P10636 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
ALDH1A1 P00352 3/20 0.37
GAA P10253 1/20 0.37
CYP3A4 P08684 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
EPHX2 P34913 1/20 0.35
HSD17B10 Q99714 2/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 4/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LDHA P00338 1/20 0.32
SRR Q9GZT4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL4767550 0.91 TSHR (0.48) TSHRTDP1SMN1; SMN2PKMMAPT
SCHEMBL527804 0.89 TSHR (0.47) TSHRTDP1SMN1; SMN2PKMMAPT
SCHEMBL8672977 0.87 TSHR (0.46) TSHRTDP1SMN1; SMN2PKMMAPT
Malonic Acid SCHEMBL31256740 0.87 TSHR (0.46) TSHRTDP1SMN1; SMN2PKMMAPT
SCHEMBL309469 0.87 TSHR (0.46) TSHRTDP1SMN1; SMN2PKMMAPT
SCHEMBL57069 0.82 TSHR (0.52) TSHRTDP1SMN1; SMN2PKMMAPT
Butane SCHEMBL3817891 0.82 TSHR (0.55) TSHRTDP1SMN1; SMN2PKMMAPT
SCHEMBL2552585 0.82 TSHR (0.46) TSHRTDP1SMN1; SMN2PKMMAPT
SCHEMBL10405739 0.81 TSHR (0.44) TSHRTDP1SMN1; SMN2PKMMAPT
Acetoacetic Acid SCHEMBL1318189 0.80 TSHR (0.44) TSHRTDP1SMN1; SMN2PKMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6384228-B2 EPIBATIDINE; ANALGESICS; ANIMAL EXTRACTS NIHON MEDI-PHYSICS CO., LTD. (JP) 2002-05-07 US disclosed
US-20020010339-A1 METHOD FOR SYNTHESIS OF HALOPYRIDYL-ACYCLOPENTANE DERIVATIVE AND INTERMEDIATE THEREOF NIHON MEDI-PHYSICS CO., LTD. (JP) 2002-01-24 US disclosed
US-4150236-A Steroidal intermediates from the condensation product of dimethyl-3-ketoglutarate and glyoxal THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1979-04-17 US disclosed
US-4139713-A Steroidal intermediates from the condensation product of dimethyl-3-ketoglutarate and glyoxal THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1979-02-13 US disclosed
US-4069241-A Steroidal intermediates from the condensation product of dimethyl-3-ketoglutarate and glyoxal THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1978-01-17 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-20020010339-A1 METHOD FOR SYNTHESIS OF HALOPYRIDYL-ACYCLOPENTANE DERIVATIVE AND INTERMEDIATE THEREOF DHPS, ALAD, HAAO TSHR 4144/4885TDP1 3149/4885SMN1; SMN2 4622/4885

“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.