SCHEMBL13778701

SCHEMBL13778701

COc1cc(C)ccc1OCCCOCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 13/20 0.62
MAPT P10636 10/20 0.62
HPGD P15428 6/20 0.62
RAB9A P51151 5/20 0.62
NPC1 O15118 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
CYP2C9 P11712 3/20 0.62
CYP2C19 P33261 3/20 0.62
CYP1A2 P05177 2/20 0.62
CYP3A4 P08684 1/20 0.62
TDP1 Q9NUW8 3/20 0.56
HTT P42858 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
HSP90AA1 P07900 1/20 0.55
KDM4E B2RXH2 3/20 0.55
L3MBTL4 Q8NA19 1/20 0.54
L3MBTL3 Q96JM7 1/20 0.54
LMNA P02545 1/20 0.53
ALDH1A1 P00352 2/20 0.52
POLB P06746 2/20 0.52

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
SCHEMBL171847 0.85 NPC1 (0.58) L3MBTL1MAPTHPGDRAB9ANPC1
SCHEMBL22261672 0.84 L3MBTL1 (0.56) L3MBTL1MAPTHPGDRAB9ANPC1
SCHEMBL21184536 0.84 L3MBTL1 (0.56) L3MBTL1MAPTHPGDRAB9ANPC1
SCHEMBL21184526 0.84 L3MBTL1 (0.56) L3MBTL1MAPTHPGDRAB9ANPC1
SCHEMBL22261752 0.84 L3MBTL1 (0.56) L3MBTL1MAPTHPGDRAB9ANPC1
SCHEMBL22261754 0.84 L3MBTL1 (0.56) L3MBTL1MAPTHPGDRAB9ANPC1
SCHEMBL21184456 0.84 L3MBTL1 (0.56) L3MBTL1MAPTHPGDRAB9ANPC1
SCHEMBL13778593 0.82 HTR1A (0.44) L3MBTL1MAPTHPGDRAB9ANPC1
SCHEMBL13433963 0.81 L3MBTL1 (0.52) L3MBTL1MAPTHPGDRAB9ANPC1
SCHEMBL18715976 0.81 L3MBTL1 (0.52) L3MBTL1MAPTHPGDRAB9ANPC1

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-20090170845-A1 USE OF IMIDAZO[2,1-b]-1,3,4-THIADIAZOLE-2-SULFONAMIDE COMPOUNDS TO TREAT NEUROPATHIC PAIN AEGERA THERAPEUTICS INC. (CA) 2009-07-02 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-20090170845-A1 USE OF IMIDAZO[2,1-b]-1,3,4-THIADIAZOLE-2-SULFONAMIDE COMPOUNDS TO TREAT NEUROPATHIC PAIN SCN1B, SCN3A, SCN1A L3MBTL1 2815/4885MAPT 2535/4885HPGD 1056/4885

“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.