SCHEMBL4453475

SCHEMBL4453475

Cc1c(C(=O)O)c(-c2cccc(C(C)(C)C)c2C(C)(C)C)c(C(C)(C)C)c(O)c1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.41
GLRB P48167 1/20 0.41
CA2 P00918 2/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
NPSR1 Q6W5P4 1/20 0.34
PTPN5 P54829 1/20 0.34
HNF4A P41235 1/20 0.33
TNFRSF1A P19438 1/20 0.32
MYC P01106 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
KMT2A Q03164 4/20 0.32
ALOX5 P09917 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
ALDH1A1 P00352 3/20 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
SCHEMBL347873 0.79 GLRA3 (0.42) GLRA3GLRBCA2CA12CA1
SCHEMBL7760935 0.77 GLRA3 (0.41) GLRA3GLRBCA2GABRA1GABRB2
SCHEMBL4201439 0.76 GLRA3 (0.44) GLRA3GLRBCA2GABRA1GABRB2
SCHEMBL11372087 0.74 GLRA3 (0.47) GLRA3GLRBCA2CA12CA1
SCHEMBL10714754 0.73 HNF4A (0.42) GLRA3GLRBCA2PTPN5HNF4A
SCHEMBL11401942 0.69 GABRA1 (0.47) GLRA3GLRBCA2GABRA1GABRB2
SCHEMBL8934298 0.69 MYC (0.49) HNF4AMYCALDH1A1HSD17B10MAPT
SCHEMBL499865 0.69 CA2 (0.43) CA2GABRA1GABRB2NPSR1PTPN5
Bicarbonate SCHEMBL27636739 0.68 CA2 (0.41) CA2GABRA1GABRB2NPSR1PTPN5
SCHEMBL7854316 0.68 GLRA3 (0.54) GLRA3GLRBCA2GABRA1GABRB2

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-20090203817-A1 STABILIZED SPANDEX COMPOSITIONS CYTEC TECHNOLOGY CORP. 2009-08-13 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-20090203817-A1 STABILIZED SPANDEX COMPOSITIONS SMCHD1, SMC1A, SI GLRA3 4293/4885GLRB 3784/4885CA2 4713/4885

“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.