SCHEMBL1116007

SCHEMBL1116007

CN(Cc1ccccc1)c1cc(C(=O)O)ccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ACHE P22303 3/20 0.47
TAS2R14 Q9NYV8 6/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
BCHE P06276 1/20 0.46
SLC16A3 O15427 1/20 0.45
SLC16A1 P53985 1/20 0.45
ALDH1A1 P00352 3/20 0.44
PTGES O14684 1/20 0.44
TAS2R8 Q9NYW2 1/20 0.44
CXCR3 P49682 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL3276453 0.82 ABCC1 (0.53) RXRARXRBRXRGMEN1KMT2A
Formic Acid SCHEMBL6820433 0.79 ACHE (0.47) RXRARXRBRXRGKDM4EACHE
SCHEMBL7392586 0.78 MEN1 (0.52) RXRARXRBRXRGACHETAS2R14
SCHEMBL15840792 0.77 HCAR3 (0.45) KDM4EALDH1A1LMNA
SCHEMBL642243 0.77 HCAR3 (0.53) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL11344382 0.76 KDM4C (0.51) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL15840793 0.76 HCAR3 (0.50) KDM4EALDH1A1
SCHEMBL26023444 0.76 RXRA (0.58) RXRARXRBRXRGTAS2R14MEN1
SCHEMBL28325048 0.75 MAPT (0.49) RXRARXRBRXRGACHEMEN1
SCHEMBL11108577 0.75 ACHE (0.49) RXRARXRBRXRGKDM4EACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7893057-B2 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto AGENNIX USA INC. (US) 2011-02-22 US disclosed
EP-1364212-B1 THREE HYBRID ASSAY SYSTEM GPC BIOTECH AG (DE) 2011-02-02 EP disclosed
US-7786112-B2 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto AGENNIX USA INC. (US) 2010-08-31 US disclosed
US-20100004207-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto GPC BIOTECH INC. 2010-01-07 US disclosed
US-7605175-B2 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto GPC BIOTECH AG (DE) 2009-10-20 US disclosed
EP-1975620-A2 Three hybrid assay system GPC Biotech AG (DE) 2008-10-01 EP disclosed
US-7135550-B2 Compositions and methods for isolating ligand binding polypeptides for a user-specified ligand, and for isolating small molecule ligands for a user-specified target polypeptide using an improved class of hybrid ligand compounds GPC BIOTECH INC. (US) 2006-11-14 US disclosed
EP-1364212-A4 THREE HYBRID ASSAY SYSTEM GPC BIOTECH AG (DE) 2005-05-04 EP disclosed
US-20040266854-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto GPC BIOTECH, INC. (US) 2004-12-30 US disclosed
US-20040266853-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto GPC BIOTECH, INC. (US) 2004-12-30 US disclosed
US-20040043388-A1 Three hybrid assay system GPC BIOTECH AG (DE) 2004-03-04 US disclosed
EP-1364212-A2 THREE HYBRID ASSAY SYSTEM GPC Biotech AG (DE) 2003-11-26 EP disclosed
US-20030165873-A1 For isolating ligand binding polypeptides; fusion proteins; drug screening; kits; surface plasmon resonance GPC BIOTECH AG (DE) 2003-09-04 US disclosed
WO-2002070662-A2 THREE HYBRID ASSAY SYSTEM GPC BIOTECH AG (DE) 2002-09-12 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-20040266853-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto CDK1, CCNO, CCNI RXRA 3552/4885RXRB 3415/4885RXRG 3150/4885
US-20030165873-A1 For isolating ligand binding polypeptides; fusion proteins; drug screening; kits; surface plasmon resonance MST1R, PLAUR, SPR RXRA 1905/4885RXRB 1519/4885RXRG 1163/4885
US-20100004207-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto CDK1, CCNO, CCNI RXRA 3552/4885RXRB 3415/4885RXRG 3150/4885
US-20040043388-A1 Three hybrid assay system ACKR3, KLK3, TIMCC RXRA 2782/4885RXRB 2398/4885RXRG 2275/4885
US-20040266854-A1 Inhibitors of cyclin-dependent kinases, compositions and uses related thereto CDK1, CCNO, CCNI RXRA 3552/4885RXRB 3415/4885RXRG 3150/4885

“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.