SCHEMBL3148835

SCHEMBL3148835

COC1=CC(OC)(OC)CC(C=CC(=O)O)=C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.37
ATM Q13315 1/20 0.37
KDM4E B2RXH2 7/20 0.36
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
PKM P14618 2/20 0.36
HTR1A P08908 1/20 0.36
HTR2C P28335 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
GAA P10253 3/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CSNK2A2 P19784 1/20 0.33

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
SCHEMBL4513227 0.74 THRB (0.37) THRBATMKDM4EALDH1A1SMN1; SMN2
SCHEMBL4513230 0.74 THRB (0.37) THRBATMKDM4EALDH1A1SMN1; SMN2
SCHEMBL31337844 0.59 HCAR2 (0.39) THRBATMKDM4EALDH1A1SMN1; SMN2
SCHEMBL12795430 0.59 SMN1; SMN2 (0.41) THRBATMKDM4EALDH1A1SMN1; SMN2
SCHEMBL21989264 0.58 APEX1 (0.37) THRBATMKDM4EALDH1A1SMN1; SMN2
SCHEMBL10378479 0.56
SCHEMBL183861 0.56 HCAR2 (0.39) THRBATMKDM4EALDH1A1SMN1; SMN2
SCHEMBL6852630 0.56 ABCG2 (0.57) THRBATMKDM4EALDH1A1SMN1; SMN2
SCHEMBL6852555 0.56 NFE2L2 (0.69) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL6852627 0.56 ABCG2 (0.57) THRBATMKDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100145071-A1 SMALL MOLECULE INHIBITORS OF ROTAMASE ENZYME ACTIVITY GLIAMED, INC. (US) 2010-06-10 US disclosed
EP-1433781-B1 Pyrrolidine carboxylic acid derivatives MGI GP INC (US) 2010-02-24 EP disclosed
US-7652060-B2 Neurotrophic N-glyoxyl-prolyl ester compounds e.g. 3-phenyl-1-propyl (2S)-1-(3,3-dimethyl-1,2-dioxopentyl)-2-pyrrolidinecarboxylate; non-immunosuppressive; side effect reduction; neurodegenerative diseases Glia Med, Inc (US) 2010-01-26 US disclosed
US-20080076817-A1 Small Molecule Rotamase Enzyme Inhibitors HAMILTON GREGORY S 2008-03-27 US disclosed
US-7282510-B2 Small molecule inhibitors of rotamase enzyme activity GLIAMED, INC. (US) 2007-10-16 US disclosed
EP-1479373-B1 Hair growth compositions and uses GUILFORD PHARM INC (US) 2007-01-10 EP disclosed
US-7056935-B2 Rotamase enzyme activity inhibitors GPI NIL HOLDINGS, INC. (US) 2006-06-06 US disclosed
US-20050272780-A1 Small molecule inhibitors of rotamase enzyme activity GUILFORD NIL HOLDINGS, INC. 2005-12-08 US disclosed
US-6943187-B2 Pyrrolidine derivative hair growth compositions and uses GPI NIL HOLDINGS, INC. (US) 2005-09-13 US disclosed
EP-1479373-A1 Hair growth compositions and uses GPI NIL Holdings, Inc. (US) 2004-11-24 EP disclosed
EP-0992492-A1 Small molecule inhibitors of rotamase enzyme activity GUILFORD PHARMACEUTICALS INC. (US) 2000-04-12 EP disclosed
WO-2000016603-A2 BRIDGED HETEROCYCLIC DERIVATIVES GPI NIL HOLDINGS, INC. (US) 2000-03-30 WO disclosed
WO-2000009124-A1 PYRROLIDINE DERIVATIVES FOR VISION AND MEMORY DISORDERS GPI NIL HOLDINGS, INC. (US) 2000-02-24 WO disclosed
US-5859031-A Small molecule inhibitors of rotamase enzyme activity GPI NIL HOLDINGS, INC. (US) 1999-01-12 US disclosed
US-5795908-A FKBP IMMUNOPHILINS FOR ENZYME INHIBITORS GPI NIL HOLDINGS, INC. (US) 1998-08-18 US disclosed
EP-0769006-A4 GUILFORD PHARM INC (US) 1997-05-28 EP disclosed
EP-0769006-A1 SMALL MOLECULE INHIBITORS OF ROTAMASE ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 1997-04-23 EP disclosed
US-5614547-A Small molecule inhibitors of rotamase enzyme GUILFORD PHARMACEUTICALS INC. (US) 1997-03-25 US disclosed
WO-1996040633-A9 SMALL MOLECULE INHIBITORS OF ROTAMASE ENZYME ACTIVITY 1997-02-27 WO disclosed
WO-1996040633-A1 SMALL MOLECULE INHIBITORS OF ROTAMASE ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 1996-12-19 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 (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-20100145071-A1 SMALL MOLECULE INHIBITORS OF ROTAMASE ENZYME ACTIVITY FKBP8, FKBP1A, FKBP2 THRB 3872/4885ATM 4839/4885KDM4E 3513/4885
US-20050272780-A1 Small molecule inhibitors of rotamase enzyme activity FKBP8, FKBP1A, PREP THRB 3460/4885ATM 4792/4885KDM4E 3523/4885
US-20080076817-A1 Small Molecule Rotamase Enzyme Inhibitors FKBP8, FKBP1A, FKBP2 THRB 3821/4885ATM 4798/4885KDM4E 3126/4885

“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.