SCHEMBL177349

SCHEMBL177349

CCOC(=O)COc1cc(OC)ccc1C=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
MAPT P10636 3/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2C19 P33261 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
HPGD P15428 2/20 0.58
LMNA P02545 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
NTSR1 P30989 1/20 0.58
GAA P10253 5/20 0.50
KDM4E B2RXH2 3/20 0.50
PTPN1 P18031 2/20 0.50
HSD17B10 Q99714 2/20 0.50
RAB9A P51151 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
TRIM24 O15164 1/20 0.48
TYR P14679 1/20 0.48
TRIM33 Q9UPN9 1/20 0.48
USP2 O75604 1/20 0.47

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
SCHEMBL28068381 0.92 ALDH1A1 (0.67) ALDH1A1MAPTCYP1A2CYP2C19NPSR1
SCHEMBL3643556 0.89 KDM4E (0.62) ALDH1A1MAPTCYP1A2CYP2C19NPSR1
SCHEMBL6510637 0.89 ALDH1A1 (0.58) ALDH1A1MAPTCYP1A2CYP2C19NPSR1
SCHEMBL7840901 0.87 ALDH1A1 (0.61) ALDH1A1MAPTLMNAGAAKDM4E
SCHEMBL21601619 0.87 ALDH1A1 (0.54) ALDH1A1MAPTCYP1A2CYP2C19NPSR1
SCHEMBL21601607 0.86 PTPN1 (0.53) ALDH1A1MAPTCYP1A2CYP2C19NPSR1
SCHEMBL10420461 0.83 ALDH1A1 (0.51) ALDH1A1MAPTCYP1A2CYP2C19NPSR1
SCHEMBL29707984 0.83 ALDH1A1 (0.63) ALDH1A1MAPTLMNAKDM4EPTPN1
SCHEMBL7840891 0.83 ALDH1A1 (0.63) ALDH1A1MAPTLMNAKDM4EPTPN1
SCHEMBL1748666 0.82 ALDH1A1 (0.71) ALDH1A1MAPTCYP1A2CYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9707205-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2017-07-18 US disclosed
EP-2344484-B1 S1P RECEPTORS MODULATORS AND USE THEREOF AKAAL PHARMA PTY LTD (AU) 2016-06-08 EP disclosed
US-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF AKAAL PHARMA PTY LTD. (AU) 2016-02-11 US disclosed
US-9193716-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2015-11-24 US disclosed
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD. (AU) 2014-03-06 US disclosed
US-8592399-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2013-11-26 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD (AU) 2011-12-29 US disclosed
EP-2344484-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
EP-2344446-A1 S1P RECEPTORS MODULATORS Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2010043000-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO disclosed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO disclosed
US-5686481-A INDOLE DERIVATIVES; TREATING HYPERTENSION, RENAL FAILURE, CEREBROVASCULAR DISEASE SMITHKLINE BEECHAM CORPORATION (US) 1997-11-11 US disclosed
EP-0676959-A4 ENDOTHELIN RECEPTOR ANTAGONISTS. SMITHKLINE BEECHAM CORP (US) 1996-01-03 EP disclosed
EP-0676959-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-18 EP disclosed
WO-1994014434-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 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 (4 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-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF S1PR1, S1PR5, S1PR2 ALDH1A1 3172/4885MAPT 4096/4885CYP1A2 3385/4885
US-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 ALDH1A1 3045/4885MAPT 4146/4885CYP1A2 4278/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 ALDH1A1 3172/4885MAPT 4096/4885CYP1A2 3385/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 ALDH1A1 3392/4885MAPT 4621/4885CYP1A2 4520/4885

“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.