SCHEMBL13259161

SCHEMBL13259161

C#CCC(CC#Cc1ccccc1)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
PIN1 Q13526 2/20 0.42
KDM4E B2RXH2 1/20 0.39
ADORA3 P0DMS8 2/20 0.38
ALDH1A1 P00352 1/20 0.38
RECQL P46063 1/20 0.38
MMP8 P22894 1/20 0.38
FFAR1 O14842 2/20 0.38
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
GRM5 P41594 1/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL13259152 0.94 GAA (0.51) GAAPIN1ADORA3ALDH1A1RECQL
SCHEMBL17816558 0.83 MAPT (0.45) GAAPIN1ADORA3ALDH1A1RECQL
SCHEMBL16058422 0.81 GAA (0.53) GAAPIN1ADORA3ALDH1A1RECQL
SCHEMBL10906457 0.80 ALDH1A1 (0.52) PIN1ALDH1A1RECQLMMP8NPSR1
SCHEMBL379262 0.80 MEN1 (0.50) GAAPIN1KDM4EALDH1A1MMP8
SCHEMBL19923782 0.78 HTT (0.41) GAAKDM4EALDH1A1MMP8FFAR1
SCHEMBL17487077 0.78 GAA (0.50) GAAPIN1ADORA3ALDH1A1RECQL
SCHEMBL13259175 0.77 MEN1 (0.42) KDM4EALDH1A1HTTNPSR1SMN1; SMN2
SCHEMBL8497668 0.76 ALDH1A1 (0.61) GAAPIN1KDM4EADORA3ALDH1A1
SCHEMBL27861619 0.75 MEN1 (0.46) GAAPIN1KDM4EALDH1A1MMP8

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-20100168441-A1 PROCESS FOR PRODUCTION OF SUBSTITUTED BENZENE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-07-01 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-20100168441-A1 PROCESS FOR PRODUCTION OF SUBSTITUTED BENZENE MYB, KCNH2, INTS9 GAA 4310/4885PIN1 1381/4885KDM4E 2521/4885

“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.