SCHEMBL12568825

SCHEMBL12568825

CCCCC(CC)Cc1sc2cccc3c4c(CC(CC)CCCC)sc5cccc(c1c23)c54

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CNR2 P34972 5/20 0.36
▸ CNR1 P21554 4/20 0.36
▸ ALDH1A1 P00352 5/20 0.34
▸ PTPN1 P18031 3/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CA2 P00918 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ BDKRB2 P30411 1/20 0.31
▸ PRSS1 P07477 1/20 0.30
▸ PRSS2 P07478 1/20 0.30
▸ PRSS3 P35030 1/20 0.30

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
SCHEMBL28283151 0.79 ALDH1A1 (0.42) TSHRGLAHTTL3MBTL1CNR2
SCHEMBL19465365 0.72 ALDH1A1 (0.41) TSHRGLAHTTL3MBTL1ALDH1A1
SCHEMBL30395252 0.70 ALDH1A1 (0.45) TSHRGLAHTTL3MBTL1ALDH1A1
SCHEMBL18066726 0.68 ALDH1A1 (0.43) TSHRGLAHTTL3MBTL1ALDH1A1
SCHEMBL28775703 0.68 ALDH1A1 (0.37) TSHRGLAHTTL3MBTL1ALDH1A1
SCHEMBL23515511 0.67 CNR2 (0.37) CNR2CNR1
SCHEMBL19465407 0.67 MME (0.43) ALDH1A1CYP3A4CA2KDM4E
SCHEMBL29516457 0.67 TSHR (0.39) TSHRGLAHTTL3MBTL1ALDH1A1
SCHEMBL868622 0.66 TSHR (0.54) TSHRGLAHTTL3MBTL1ALDH1A1
SCHEMBL16411256 0.66 L3MBTL1 (0.49) HTTL3MBTL1ALDH1A1CYP3A4KDM4E

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-7964741-B2 Bibenzothiophene derivatives THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2011-06-21 — — US disclosed
US-7964741-B2 Bibenzothiophene derivatives THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2011-06-21 — — US disclosed
US-20090292130-A1 BIBENZOTHIOPHENE DERIVATIVES US GOVERNMENT AS REPRESENTED BY SECRETARY OF ARMY (US) 2009-11-26 — — US disclosed
US-20090292130-A1 BIBENZOTHIOPHENE DERIVATIVES US GOVERNMENT AS REPRESENTED BY SECRETARY OF ARMY (US) 2009-11-26 — — 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-20090292130-A1 BIBENZOTHIOPHENE DERIVATIVES OCIAD2, OCIAD1, TBCD TSHR 1728/4885GLA 4742/4885HTT 3029/4885

“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.

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