SCHEMBL4101829

SCHEMBL4101829

CC(=O)Oc1ccc2cc(C(=O)O)c(=O)oc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 5/20 0.74
KDM4E B2RXH2 7/20 0.66
GLA P06280 4/20 0.66
RAB9A P51151 3/20 0.66
NPC1 O15118 2/20 0.66
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
ALDH1A1 P00352 6/20 0.64
GAA P10253 4/20 0.64
HPGD P15428 4/20 0.64
HSD17B10 Q99714 2/20 0.64
CASP1 P29466 1/20 0.64
CASP7 P55210 1/20 0.64
CA12 O43570 4/20 0.62
CA9 Q16790 4/20 0.62
POLB P06746 2/20 0.62
TDP1 Q9NUW8 1/20 0.62
MAOB P27338 4/20 0.62
CA2 P00918 2/20 0.58
CA1 P00915 2/20 0.58

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
SCHEMBL5940913 0.90 GAA (0.76) SLC16A3KDM4EGLARAB9ANPC1
SCHEMBL29378625 0.90 KDM4E (0.65) SLC16A3KDM4EGLARAB9ANPC1
SCHEMBL557449 0.90 KDM4E (0.65) SLC16A3KDM4EGLARAB9ANPC1
SCHEMBL11337643 0.89 CA12 (0.74) SLC16A3KDM4EALDH1A1GAAHPGD
SCHEMBL2336577 0.87 KDM4E (0.62) SLC16A3KDM4EGLARAB9ANPC1
SCHEMBL6836395 0.87 ALDH1A1 (0.79) SLC16A3KDM4EGLARAB9ANPC1
SCHEMBL31222311 0.86 SLC16A3 (0.74) SLC16A3KDM4EGLARAB9ANPC1
SCHEMBL203997 0.85 SLC16A3 (1.00) SLC16A3KDM4EGLARAB9ANPC1
Glucuronate SCHEMBL7823446 0.84 SLC16A3 (0.55) SLC16A3KDM4EGLARAB9ANPC1
SCHEMBL5940918 0.84 KDM4E (0.58) SLC16A3KDM4EGLARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221442-A1 SUBSTRATES AND SCREENING METHODS FOR TRANSPORT PROTEINS XENOPORT, INC. (US) 2009-09-03 US disclosed
US-7413536-B1 Substrates and screening methods for transport proteins XENOPORT, INC. (US) 2008-08-19 US disclosed
EP-1212619-B1 SUBSTRATES AND SCREENING METHODS FOR TRANSPORT PROTEINS XENOPORT INC (US) 2007-05-23 EP disclosed
EP-1212619-A4 SUBSTRATES AND SCREENING METHODS FOR TRANSPORT PROTEINS XENOPORT INC (US) 2004-12-08 EP disclosed
US-20030224473-A1 Methods for screening for histone deacetylase activity and for identifying histone deacetylase inhibitors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-12-04 US disclosed
WO-2001020331-A9 SUBSTRATES AND SCREENING METHODS FOR TRANSPORT PROTEINS XENOPORT INC (US) 2002-10-03 WO disclosed
EP-1212619-A1 SUBSTRATES AND SCREENING METHODS FOR TRANSPORT PROTEINS Xenoport, Inc. (US) 2002-06-12 EP disclosed
WO-2001020331-A1 SUBSTRATES AND SCREENING METHODS FOR TRANSPORT PROTEINS XENOPORT, INC. (US) 2001-03-22 WO disclosed
US-5512667-A Trifunctional intermediates for preparing 3'-tailed oligonucleotides DRUG ROYALTY LP1 (CA) 1996-04-30 US disclosed
US-5419966-A Solid support for synthesis of 3'-tailed oligonucleotides MICROPROBE CORPORATION (US) 1995-05-30 US disclosed
EP-0547142-A4 MICROPROBE CORP (US) 1995-01-18 EP disclosed
EP-0547142-A1 SOLID SUPPORT SYNTHESIS OF 3'-TAILED OLIGONUCLEOTIDES VIA A LINKING MOLECULE EPOCH PHARMACEUTICALS, INC. (US) 1993-06-23 EP disclosed
WO-1992003464-A1 SOLID SUPPORT SYNTHESIS OF 3'-TAILED OLIGONUCLEOTIDES VIA A LINKING MOLECULE MICROPROBE CORPORATION (US) 1992-03-05 WO disclosed
US-4303664-A Novel penicillin derivatives containing a coumarin nucleus and medicines containing the same TEIJIN LIMITED (JP) 1981-12-01 US disclosed
US-4159268-A ANTIBIOTICS, MICROBIOCIDES AMERICAN CYANAMID COMPANY (US) 1979-06-26 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 (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-20030224473-A1 Methods for screening for histone deacetylase activity and for identifying histone deacetylase inhibitors HDAC1, HDAC5, HDAC11 SLC16A3 3470/4885KDM4E 276/4885GLA 149/4885

“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.