SCHEMBL454210

SCHEMBL454210

CC(=O)c1cc(C)c(O)c(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 1/20 0.56
CXCL12 P48061 1/20 0.56
CTH P32929 1/20 0.54
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
AKR1C3 P42330 13/20 0.45
AKR1C2 P52895 13/20 0.45
CA5A P35218 1/20 0.45
PHLPP2 Q6ZVD8 1/20 0.43
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 1/20 0.41
AKR1B10 O60218 2/20 0.40
AKR1B1 P15121 2/20 0.40
AKR1C4 P17516 2/20 0.40
AKR1C1 Q04828 2/20 0.40

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
SCHEMBL6900728 0.88 CA5A (0.48) HMGB1CXCL12CTHKDM4EALDH1A1
SCHEMBL6969296 0.84 HMGB1 (0.47) HMGB1CXCL12CTHKDM4EALDH1A1
SCHEMBL1644952 0.83 CA5A (0.56) ALDH1A1CA5ALMNACYP3A4CYP2C9
SCHEMBL28009479 0.82 LMNA (0.52) HMGB1CXCL12KDM4EALDH1A1HPGD
SCHEMBL27733846 0.79 KDM4E (0.47) KDM4EAKR1C3AKR1C2CA5AKMT2A
SCHEMBL10763288 0.78 MMP2 (0.46) HMGB1CXCL12CTHKDM4EALDH1A1
SCHEMBL10421181 0.78 KMT2A (0.51) HMGB1CXCL12CTHKDM4EALDH1A1
SCHEMBL9508765 0.78 HMGB1 (0.54) HMGB1CXCL12CTHKDM4EALDH1A1
SCHEMBL122472 0.77 HMGB1 (0.62) HMGB1CXCL12CTHKDM4EALDH1A1
SCHEMBL13144722 0.77 CA5A (0.50) KDM4EALDH1A1HPGDHSD17B10CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2885411-B1 MEANS AND METHODS FOR ALTERING THE LIGNIN PATHWAY IN PLANTS VIB VZW (BE) 2018-12-05 EP disclosed
US-10006041-B2 Means and methods for altering the lignin pathway in plants VIB VZW (BE) 2018-06-26 US disclosed
US-20150232872-A1 MEANS AND METHODS FOR ALTERING THE LIGNIN PATHWAY IN PLANTS UNIVERSITEIT GENT (BE) 2015-08-20 US disclosed
EP-2885411-A1 MEANS AND METHODS FOR ALTERING THE LIGNIN PATHWAY IN PLANTS VIB vzw (BE) 2015-06-24 EP disclosed
US-8790548-B2 Carbonaceous materials UNIVERSITY OF YORK (GB) 2014-07-29 US disclosed
WO-2014027021-A1 MEANS AND METHODS FOR ALTERING THE LIGNIN PATHWAY IN PLANTS VIB VZW (BE) 2014-02-20 WO disclosed
WO-2012032546-A2 PROCESS FOR THE PREPARATION OF SALMETEROL AND ITS INTERMEDIATES CADILA HEALTHCARE LIMITED (IN) 2012-03-15 WO disclosed
US-7605163-B2 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-10-20 US disclosed
US-20090078913-A1 CARBONACEOUS MATERIALS STARBONS LIMITED (GB) 2009-03-26 US disclosed
EP-2007675-A2 CARBONACEOUS MATERIALS University of York (GB) 2008-12-31 EP disclosed
US-20050209241-A1 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. 2005-09-22 US disclosed
WO-2005014563-A1 PIPERAZINE WITH OR-SUBSTITUTED PHENYL GROUP AND THEIR USE AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-17 WO disclosed
US-6649636-B1 Cyclooxygenase inhibitors PFIZER INC. 2003-11-18 US disclosed
EP-1104759-B1 Heteroaryl phenyl pyrazole compounds as anti-inflammatory/analgesic agents PFIZER PROD INC (US) 2003-10-22 EP disclosed
US-6534501-B2 Allosteric inhibitors of pyruvate kinase ALLOS THERAPEUTICS, INC. 2003-03-18 US disclosed
US-20010046997-A1 Allosteric inhibitors of pyruvate kinase ALLOS THERAPEUTICS, INC. 2001-11-29 US disclosed
EP-1104759-A1 Heteroaryl phenyl pyrazole compounds as anti-inflammatory/analgesic agents Pfizer Products Inc. (US) 2001-06-06 EP disclosed
US-6214879-B1 Allosteric inhibitors of pyruvate kinase VIRGINIA COMMONWEALTH UNIVERSITY 2001-04-10 US disclosed
WO-1999048490-A1 ALLOSTERIC INHIBITORS AND ACTIVATORS OF PYRUVATE KINASE ALLOS THERAPEUTICS, INC. (US) 1999-09-30 WO disclosed
US-5599974-A ALDEHYDE AND ACID CONTAINING COMPOUNDS BOND WITH VALINE, ARGININE, AND LYSINE OF HEMOGLOBIN MOLECULE TO MODIFY MOLECULE CENTER FOR INNOVATIVE TECHNOLOGY (US) 1997-02-04 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-20050209241-A1 Benzoyl-piperazine derivatives SLC1A2, SLC18A2, SLC6A7 HMGB1 2385/4885CXCL12 3896/4885CTH 1927/4885

“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.