SCHEMBL13430935

SCHEMBL13430935

O=C(OCC1OC(O)C(O)C(O)C1O)c1cc(O)c(O)c(O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.57
▸ SERPINE1 P05121 5/20 0.50
▸ TMPRSS2 O15393 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ PDE5A O76074 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ HMGCR P04035 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ LCK P06239 1/20 0.49
▸ FYN P06241 1/20 0.49
▸ HSPD1 P10809 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CA6 P23280 1/20 0.49
▸ TBXAS1 P24557 1/20 0.49
▸ MAPK3 P27361 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ HSPE1 P61604 1/20 0.49
▸ MAPK14 Q16539 1/20 0.49
▸ TST Q16762 1/20 0.49

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
SCHEMBL27979279 1.00 TDP1 (0.57) TDP1SERPINE1TMPRSS2USP2PDE5A
SCHEMBL28455116 0.87 TMPRSS2 (0.57) TDP1SERPINE1TMPRSS2USP2PDE5A
SCHEMBL28460100 0.87 TMPRSS2 (0.57) TDP1SERPINE1TMPRSS2USP2PDE5A
SCHEMBL20530397 0.85 TDP1 (0.55) TDP1SERPINE1TMPRSS2USP2PDE5A
SCHEMBL10379318 0.85 TDP1 (0.63) TDP1SERPINE1TMPRSS2USP2PDE5A
SCHEMBL30083919 0.85 TDP1 (0.63) TDP1SERPINE1TMPRSS2USP2PDE5A
SCHEMBL13456976 0.85 TDP1 (0.63) TDP1SERPINE1TMPRSS2USP2PDE5A
SCHEMBL13430932 0.85 TDP1 (0.63) TDP1SERPINE1TMPRSS2USP2PDE5A
SCHEMBL17274609 0.84 TDP1 (0.68) TDP1SERPINE1TMPRSS2USP2PDE5A
SCHEMBL19145553 0.84 TDP1 (0.68) TDP1SERPINE1TMPRSS2USP2PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170014362-A1 ANTI-CHOLESTEROLEMIC COMPOUNDS AND METHODS OF USE CHATTERJEE SUBROTO (US) 2017-01-19 — — US disclosed
US-20170014362-A1 ANTI-CHOLESTEROLEMIC COMPOUNDS AND METHODS OF USE CHATTERJEE SUBROTO (US) 2017-01-19 — — US disclosed
US-9376369-B2 Anti-cholesterolemic compounds and methods of use CHATTERJEE SUBROTO (US) 2016-06-28 — — US disclosed
US-9376369-B2 Anti-cholesterolemic compounds and methods of use CHATTERJEE SUBROTO (US) 2016-06-28 — — US disclosed
US-20140031304-A1 ANTI-CHOLESTEROLEMIC COMPOUNDS AND METHODS OF USE CHATTERJEE SUBROTO (US) 2014-01-30 — — US disclosed
US-20140031304-A1 ANTI-CHOLESTEROLEMIC COMPOUNDS AND METHODS OF USE CHATTERJEE SUBROTO (US) 2014-01-30 — — US disclosed
US-8492351-B2 Anti-cholesterolemic compounds and methods of use NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2013-07-23 — — US disclosed
US-8492351-B2 Anti-cholesterolemic compounds and methods of use NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2013-07-23 — — US disclosed
US-20100063153-A1 ANTI-CHOLESTEROLEMIC COMPOUNDS AND METHODS OF USE THE JOHNS HOPKINS UNIVERSITY (US) 2010-03-11 — — US disclosed
US-20100063153-A1 ANTI-CHOLESTEROLEMIC COMPOUNDS AND METHODS OF USE THE JOHNS HOPKINS UNIVERSITY (US) 2010-03-11 — — 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 (3 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-20100063153-A1 ANTI-CHOLESTEROLEMIC COMPOUNDS AND METHODS OF USE CETP, NPC1L1, HMGCR TDP1 2712/4885SERPINE1 1091/4885TMPRSS2 1721/4885
US-20140031304-A1 ANTI-CHOLESTEROLEMIC COMPOUNDS AND METHODS OF USE CETP, NPC1L1, HMGCR TDP1 2712/4885SERPINE1 1091/4885TMPRSS2 1721/4885
US-20170014362-A1 ANTI-CHOLESTEROLEMIC COMPOUNDS AND METHODS OF USE CETP, NPC1L1, HMGCR TDP1 2712/4885SERPINE1 1091/4885TMPRSS2 1721/4885

“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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