SCHEMBL12302802

SCHEMBL12302802

COc1cccc(OC2CCCCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.61
SLC6A4 P31645 1/20 0.61
SLC6A3 Q01959 1/20 0.61
ALDH1A1 P00352 2/20 0.51
CYP3A4 P08684 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
EPHX2 P34913 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
FPR2 P25090 1/20 0.45
PROKR1 Q8TCW9 1/20 0.45
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
ACHE P22303 1/20 0.44
ADORA2A P29274 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL12303123 0.98 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3ALDH1A1CYP3A4
SCHEMBL12093641 0.94 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3ALDH1A1CYP3A4
SCHEMBL13798741 0.90 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3ALDH1A1CYP3A4
SCHEMBL11663045 0.90 SLC6A4 (0.47) SLC6A2SLC6A4SLC6A3
SCHEMBL791576 0.82 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3ALDH1A1CYP3A4
SCHEMBL942733 0.82 HRH1 (0.62) SLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL2094450 0.82 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3ALDH1A1CYP3A4
SCHEMBL29995290 0.82 HRH1 (0.62) SLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL18210780 0.81 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3ALDH1A1EPHX2
SCHEMBL327351 0.81 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3ALDH1A1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293715-B2 10a-Azalide compound crosslinked at 10a- and 12-positions TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-10-23 US disclosed
US-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-29 US disclosed
US-7541466-B2 Tetrahydroisoquinoline derivatives for treating protein trafficking diseases GENZYME CORPORATION (US) 2009-06-02 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-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS DCLRE1A, AZI2, CHD9 SLC6A2 4882/4885SLC6A4 4861/4885SLC6A3 4859/4885

“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.