SCHEMBL797140

SCHEMBL797140

COCCOCCOCCOc1ccccc1I

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.49
ALDH1A1 P00352 5/20 0.46
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 2/20 0.43
PTK2B Q14289 1/20 0.43
MAPT P10636 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
AR P10275 1/20 0.41
ADRB2 P07550 3/20 0.41
ADRB1 P08588 3/20 0.41
MEN1 O00255 1/20 0.40
JAK2 O60674 1/20 0.38
GAA P10253 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
SCHEMBL30519457 0.94 MAPT (0.42) L3MBTL1ALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL1144804 0.94 MAPT (0.42) L3MBTL1ALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL4101620 0.86 L3MBTL1 (0.61) L3MBTL1ALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL5349206 0.86 L3MBTL1 (0.61) L3MBTL1ALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL1144675 0.85 SMN1; SMN2 (0.44) L3MBTL1ALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL13846009 0.85 L3MBTL1 (0.46) L3MBTL1ALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL22005000 0.84 MAPT (0.50) L3MBTL1ALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL5316970 0.81 L3MBTL1 (0.71) L3MBTL1ALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL2974587 0.80 MAPT (0.56) L3MBTL1ALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL21169162 0.79 ALDH1A1 (0.50) L3MBTL1ALDH1A1LMNASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150133653-A1 COMPOUNDS AND BIOLOGICAL MATERIALS AND USES THEREOF PHOTOBIOTICS LIMITED (GB) 2015-05-14 US disclosed
US-20150133653-A1 COMPOUNDS AND BIOLOGICAL MATERIALS AND USES THEREOF PHOTOBIOTICS LIMITED (GB) 2015-05-14 US disclosed
US-20120070377-A1 COMPOUNDS AND BIOLOGICAL MATERIALS AND USES THEREOF PHOTOBIOTICS LIMITED (GB) 2012-03-22 US disclosed
US-20120070377-A1 COMPOUNDS AND BIOLOGICAL MATERIALS AND USES THEREOF PHOTOBIOTICS LIMITED (GB) 2012-03-22 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 (2 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-20150133653-A1 COMPOUNDS AND BIOLOGICAL MATERIALS AND USES THEREOF SSB, HLA-B, BDKRB1 L3MBTL1 1047/4885ALDH1A1 371/4885LMNA 1929/4885
US-20120070377-A1 COMPOUNDS AND BIOLOGICAL MATERIALS AND USES THEREOF SSB, HLA-B, BDKRB1 L3MBTL1 1552/4885ALDH1A1 278/4885LMNA 1940/4885

“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.