SCHEMBL13696972

SCHEMBL13696972

CCC(C)/C=C(\C(=O)OC)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 5/20 0.43
MAPT P10636 5/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 1/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 2/20 0.41
TP53 P04637 1/20 0.40
ESRRB O95718 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 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
SCHEMBL4005947 0.83 TSHR (0.47) SMN1; SMN2KDM4EL3MBTL1TDP1KMT2A
SCHEMBL4005943 0.83 TSHR (0.47) SMN1; SMN2KDM4EL3MBTL1TDP1KMT2A
SCHEMBL14899157 0.77 TSHR (0.41) SMN1; SMN2KDM4EL3MBTL1TDP1KMT2A
SCHEMBL4013088 0.76 TSHR (0.54) SMN1; SMN2KDM4EL3MBTL1TDP1KMT2A
SCHEMBL2048794 0.76 TSHR (0.54) SMN1; SMN2KDM4EL3MBTL1TDP1KMT2A
SCHEMBL7807838 0.76 TSHR (0.54) SMN1; SMN2KDM4EL3MBTL1TDP1KMT2A
SCHEMBL9738473 0.74 TSHR (0.52) SMN1; SMN2KDM4EL3MBTL1TDP1KMT2A
SCHEMBL9738478 0.74 TSHR (0.52) SMN1; SMN2KDM4EL3MBTL1TDP1KMT2A
SCHEMBL13116685 0.74 TSHR (0.52) SMN1; SMN2KDM4EL3MBTL1TDP1KMT2A
SCHEMBL27856036 0.74 SMN1; SMN2 (0.46) SMN1; SMN2KDM4EL3MBTL1TDP1KMT2A

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-20090240067-A1 METHOD OF PRODUCING A BISBENZODITHIOL COMPOUND FUJIFILM CORPORATION (JP) 2009-09-24 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-20090240067-A1 METHOD OF PRODUCING A BISBENZODITHIOL COMPOUND SQOR, NQO1, PBRM1 SMN1; SMN2 4471/4885KDM4E 3362/4885L3MBTL1 2663/4885

“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.