SCHEMBL4075879

SCHEMBL4075879

CC(=O)c1ccc(C(=O)O)c(C(=O)O)c1C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
ALDH1A1 P00352 4/20 0.39
ALOX15 P16050 1/20 0.39
THRB P10828 1/20 0.38
KDM4E B2RXH2 2/20 0.37
SELL P14151 1/20 0.37
SELP P16109 1/20 0.37
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA7 P43166 3/20 0.36
CA9 Q16790 3/20 0.36
CA4 P22748 2/20 0.36
AKR1C3 P42330 2/20 0.36
AKR1B10 O60218 1/20 0.36
AKR1B1 P15121 1/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL27875807 0.95 CYP1A2 (0.48) CYP1A2ALDH1A1ALOX15THRBKDM4E
SCHEMBL8880150 0.93 CYP1A2 (0.46) CYP1A2ALDH1A1ALOX15KDM4ESELL
SCHEMBL1665864 0.85 THRB (0.48) CYP1A2ALDH1A1ALOX15THRBKDM4E
SCHEMBL27554808 0.83 HAAO (0.41) CYP1A2ALDH1A1ALOX15THRBKDM4E
SCHEMBL1988762 0.83 CYP1A2 (0.61) CYP1A2ALDH1A1ALOX15KDM4ESELL
SCHEMBL29445717 0.83 CYP1A2 (0.61) CYP1A2ALDH1A1ALOX15KDM4ESELL
SCHEMBL22989 0.83 CYP1A2 (0.61) CYP1A2ALDH1A1ALOX15KDM4ESELL
SCHEMBL2953498 0.82 ALDH1A1 (0.50) ALDH1A1ALOX15THRBKDM4ECA12
SCHEMBL411156 0.82 ALDH1A1 (0.50) ALDH1A1ALOX15THRBKDM4ECA12
SCHEMBL25342214 0.80 SELL (0.45) CYP1A2ALDH1A1ALOX15KDM4ESELL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5472710-A Pharmaceutical preparation to be administered orally with controlled release of active substance and method for its manufacture SCHWARZ PHARMA AG (DE) 1995-12-05 US claimed
EP-0338383-B1 PHARMACEUTICAL PREPARATION TO BE ADMINISTERED ORALLY WITH CONTROLLED RELEASE OF ACTIVE SUBSTANCE AND METHOD FOR ITS MANUFACTURE SCHWARZ PHARMA AG (DE) 1993-03-24 EP claimed
CN-101903016-A Bupropion hydrobromide and therapeutic uses BIOVAIL LAB INT SRL 2010-12-01 CN disclosed
US-20090041843-A1 PHARMACEUTICAL PREPARATION HAVING EXCELLENT PHOTOSTABILITY KOWA CO., LTD. (JP) 2009-02-12 US disclosed
EP-1944029-A1 PHARMACEUTICAL PREPARATION HAVING EXCELLENT PHOTOSTABILITY Kowa Company, Ltd. (JP) 2008-07-16 EP disclosed
EP-0917575-A1 USE OF A LESTR/FUSIN/CXCR4 RECEPTOR LIGAND CHEMOKINE (SDF-1) FOR TREATING OR PREVENTING HIV-TYPE VIRAL INFECTION INSTITUT PASTEUR (FR) 1999-05-26 EP disclosed
WO-1998006751-A9 MCP-3, RANTES AND MIP-1ALPHA RECEPTOR ANTAGONISTS 1998-04-30 WO disclosed
WO-1998006751-A1 MCP-3, RANTES AND MIP-1ALPHA RECEPTOR ANTAGONISTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1998-02-19 WO disclosed
WO-1998004698-A1 USE OF A LESTR/FUSIN/CXCR4 RECEPTOR LIGAND CHEMOKINE (SDF-1) FOR TREATING OR PREVENTING HIV-TYPE VIRAL INFECTION INSTITUT PASTEUR (FR) 1998-02-05 WO disclosed
US-5472710-A Pharmaceutical preparation to be administered orally with controlled release of active substance and method for its manufacture SCHWARZ PHARMA AG (DE) 1995-12-05 US disclosed
EP-0302987-B1 COMPOSITIONS FOR THE PREPARATION OF INTUMESCENT MOULDINGS AND SEMI-FINISHED PRODUCTS, AND THEIR USE IN ARCHITECTURAL FIREPROOFING Dr. Wolman GmbH (DE) 1992-07-15 EP disclosed
EP-0302987-A1 Compositions for the preparation of intumescent mouldings and semi-finished products, and their use in architectural fireproofing Dr. Wolman GmbH (DE) 1989-02-15 EP 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-20090041843-A1 PHARMACEUTICAL PREPARATION HAVING EXCELLENT PHOTOSTABILITY HMGCR, PCSK9, CYP4A11 CYP1A2 663/4885ALDH1A1 3431/4885ALOX15 3055/4885

“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.