SCHEMBL13259152

SCHEMBL13259152

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
PIN1 Q13526 1/20 0.46
FFAR1 O14842 3/20 0.41
ALDH1A1 P00352 1/20 0.41
RECQL P46063 1/20 0.41
MMP8 P22894 1/20 0.41
ADORA3 P0DMS8 2/20 0.41
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRM5 P41594 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38

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
SCHEMBL13259161 0.94 GAA (0.47) GAAPIN1FFAR1ALDH1A1RECQL
SCHEMBL17816558 0.88 MAPT (0.45) GAAPIN1FFAR1ALDH1A1RECQL
SCHEMBL16058422 0.86 GAA (0.53) GAAPIN1FFAR1ALDH1A1RECQL
SCHEMBL17487077 0.82 GAA (0.50) GAAPIN1ALDH1A1RECQLMMP8
SCHEMBL8497668 0.80 ALDH1A1 (0.61) GAAPIN1ALDH1A1RECQLMMP8
SCHEMBL31296483 0.79 HTT (0.45) GAAFFAR1ALDH1A1MMP8HTT
SCHEMBL10907489 0.76 ALDH1A1 (0.52) PIN1ALDH1A1RECQLMMP8NPSR1
SCHEMBL3214071 0.76 GAA (0.62) GAAFFAR1ALDH1A1ADORA3HTT
SCHEMBL10729135 0.75 GAA (0.48) GAAPIN1FFAR1ALDH1A1RECQL
SCHEMBL11101771 0.74 PIN1 (0.45) GAAPIN1ALDH1A1RECQLMMP8

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 1381/4885FFAR1 4754/4885

“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.