SCHEMBL16637401

SCHEMBL16637401

Cc1cc(OCCC(C)(C)O)ccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 2/20 0.34
FFAR1 O14842 6/20 0.33
VDR P11473 2/20 0.33
HIF1A Q16665 2/20 0.33
PDIA6 Q15084 1/20 0.33
PDE2A O00408 1/20 0.33
PDE10A Q9Y233 1/20 0.33
UCHL1 P09936 1/20 0.32
CYP2D6 P10635 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
DGAT1 O75907 1/20 0.31

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
SCHEMBL20898172 0.86 FFAR1 (0.34) LIPEFFAR1VDRHIF1APDE2A
SCHEMBL3192973 0.84 CA1 (0.38) LIPEFFAR1HIF1APDIA6UCHL1
SCHEMBL31150272 0.84 FFAR1 (0.34) LIPEFFAR1VDRHIF1AAAK1
SCHEMBL31150265 0.84 AAK1 (0.33) LIPEFFAR1VDRHIF1APDIA6
SCHEMBL25793615 0.84 FFAR1 (0.34) LIPEFFAR1VDRHIF1AAAK1
SCHEMBL16583760 0.83 FFAR1 (0.35) FFAR1VDRHIF1ACYP2D6DGAT1
SCHEMBL1642055 0.81 MAOA (0.35) LIPEHIF1APDIA6UCHL1HRH3
SCHEMBL19897735 0.81 UCHL1 (0.37) LIPEHIF1APDIA6UCHL1CYP2D6
SCHEMBL19897712 0.80 PDIA6 (0.35) LIPEHIF1APDIA6UCHL1
Hydrochloric Acid SCHEMBL19119033 0.80 MEN1 (0.37) LIPEHIF1APDIA6UCHL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3055288-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2020-12-16 EP disclosed
EP-3055288-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2020-12-16 EP disclosed
US-9932311-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME CORP. (US) 2018-04-03 US disclosed
US-9932311-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME CORP. (US) 2018-04-03 US disclosed
US-9932311-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME CORP. (US) 2018-04-03 US disclosed
EP-3055288-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2016-08-17 EP disclosed
US-20160207887-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2016-07-21 US disclosed
US-20160207887-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2016-07-21 US disclosed
US-20160207887-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2016-07-21 US disclosed
WO-2015051725-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-04-16 WO disclosed
WO-2015051496-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-04-16 WO disclosed
WO-2015051496-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-04-16 WO disclosed
WO-2015051725-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-04-16 WO 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-20160207887-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS GPR119, GPR65, GPR55 LIPE 41/4885FFAR1 23/4885VDR 192/4885

“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.