SCHEMBL743512

SCHEMBL743512

O=C(O)c1ccc(C2=CCC3(CC2)OCCO3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.48
TBK1 Q9UHD2 1/20 0.48
RXRA P19793 4/20 0.37
RXRB P28702 4/20 0.37
CYP26A1 O43174 1/20 0.37
CYP26B1 Q9NR63 1/20 0.37
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
BCL2L1 Q07817 1/20 0.36
BAD Q92934 1/20 0.36
RXRG P48443 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
RARA P10276 2/20 0.35
RARB P10826 2/20 0.35
RARG P13631 2/20 0.35
CRBN Q96SW2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
BTK Q06187 2/20 0.35

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
SCHEMBL14403246 0.85 TBK1 (0.43) IKBKETBK1SUV39H2
SCHEMBL2945528 0.83 IKBKE (0.41) IKBKETBK1CA12CA1CA9
SCHEMBL22047788 0.81 TBK1 (0.46) IKBKETBK1BTKSUV39H2NPC1
SCHEMBL12208682 0.80 IKBKE (0.41) IKBKETBK1SUV39H2NPC1RAB9A
SCHEMBL1780682 0.80 CA12 (0.43) IKBKETBK1CA12CA1CA9
SCHEMBL13832397 0.78 SUV39H2 (0.41) IKBKETBK1TSHRHSD17B10SUV39H2
SCHEMBL14117573 0.78 TBK1 (0.39) IKBKETBK1TSHRBTKSUV39H2
SCHEMBL17471333 0.77 TBK1 (0.40) IKBKETBK1BTKSUV39H2
SCHEMBL19244244 0.77 TBK1 (0.40) IKBKETBK1SUV39H2
SCHEMBL633835 0.76 TBK1 (0.38) IKBKETBK1SUV39H2

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3660004-B1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS INC (US) 2023-02-22 EP disclosed
EP-3660004-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas Operations, Inc. (US) 2020-06-03 EP disclosed
US-20180327357-A1 NOVEL ORGANIC COMPOUND, NEAR-INFRARED FLUORESCENT CONSTANT MEDIUM CONTAINING SAME, AND METHOD FOR NANO-GRANULATING CONSTANT MEDIUM CHAMEDITECH CO., LTD. (KR) 2018-11-15 US disclosed
US-8729063-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2014-05-20 US disclosed
US-8729063-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2014-05-20 US disclosed
US-8729063-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2014-05-20 US disclosed
US-20130116230-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2013-05-09 US disclosed
US-20130116230-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2013-05-09 US disclosed
US-20130116230-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2013-05-09 US disclosed
US-8362003-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2013-01-29 US disclosed
US-20090247474-A1 3-Aminopyrrolidine Derivatives As Modulators Of Chemokine Receptors INCYTE CORPORATION 2009-10-01 US disclosed
US-20090247474-A1 3-Aminopyrrolidine Derivatives As Modulators Of Chemokine Receptors INCYTE CORPORATION 2009-10-01 US disclosed
US-20090247474-A1 3-Aminopyrrolidine Derivatives As Modulators Of Chemokine Receptors INCYTE CORPORATION 2009-10-01 US disclosed
US-20090042954-A1 2-(Aryl)Azacyclylmethyl Carboxylates, Sulfonates, Phosphonates, Phosphinates and Heterocycles as S1p Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-02-12 US disclosed
EP-1565436-A4 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2007-07-18 EP disclosed
EP-1804793-A2 2-(ARYL)AZACYCLYLMETHYL CARBOXYLATES, SULFONATES, PHOSPHONATES, PHOSPHINATES AND HETEROCYCLES AS S1P RECEPTOR AGONISTS Merck & Co., Inc. (US) 2007-07-11 EP disclosed
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors INCYTE HOLDINGS CORPORATION 2006-11-09 US disclosed
WO-2006047195-A2 2-(ARYL)AZACYCLYLMETHYL CARBOXYLATES, SULFONATES, PHOSPHONATES, PHOSPHINATES AND HETEROCYCLES AS S1P RECEPTOR AGONISTS MERCK & CO., INC. (US) 2006-05-04 WO disclosed
EP-1565436-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-08-24 EP disclosed
WO-2004050024-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2004-06-17 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 (5 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-20130116230-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CXCR3, CCR5 IKBKE 2120/4885TBK1 1893/4885RXRA 278/4885
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors CCR2, CXCR3, CCR5 IKBKE 2155/4885TBK1 1729/4885RXRA 273/4885
US-20180327357-A1 NOVEL ORGANIC COMPOUND, NEAR-INFRARED FLUORESCENT CONSTANT MEDIUM CONTAINING SAME, AND METHOD FOR NANO-GRANULATING CONSTANT MEDIUM GRN, NPM1, NEFM IKBKE 1715/4885TBK1 3163/4885RXRA 3266/4885
US-20090247474-A1 3-Aminopyrrolidine Derivatives As Modulators Of Chemokine Receptors CCR2, CXCR3, CCR5 IKBKE 2120/4885TBK1 1893/4885RXRA 278/4885
US-20090042954-A1 2-(Aryl)Azacyclylmethyl Carboxylates, Sulfonates, Phosphonates, Phosphinates and Heterocycles as S1p Receptor Antagonists S1PR1, S1PR3, S1PR5 IKBKE 1422/4885TBK1 1655/4885RXRA 2202/4885

“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.